time=0.000000 en=2.60856462e+03 E_p=-5.20056045e+01 E_k=0.00000000e+00 E_x=0.00000000e+00 P=2.24507904e+03 V=5.55025399e+04 (group) (0.000000) 0 total Kinetic (0.000000) 0.00000000e+00 0.00000000e+00 (pair) (0.000000) ( 0, 0) total angle (0.000000) 2.28818962e+02 2.28818962e+02 cmap (0.000000) -1.05712625e+01 -1.05712625e+01 dihedral (0.000000) 7.77505618e+01 7.77505618e+01 far_exclusion (0.000000) 2.14032653e+03 2.14032653e+03 far_terms (0.000000) 2.08346440e+02 2.08346440e+02 improper (0.000000) 2.62858562e+01 2.62858562e+01 pair_elec (0.000000) -1.60970517e+02 -1.60970517e+02 pair_vdw (0.000000) 3.89430382e+00 3.89430382e+00 stretch (0.000000) 9.46837025e+01 9.46837025e+01 Total (0.000000) 2.60856458e+03 2.60856458e+03 time=0.000100 en=2.60840804e+03 E_p=-5.21621874e+01 E_k=2.22200388e-01 E_x=0.00000000e+00 P=2.24359133e+03 V=5.55025399e+04 (group) (0.000100) 0 total Kinetic (0.000100) 2.22200388e-01 2.22200388e-01 (pair) (0.000100) ( 0, 0) total angle (0.000100) 2.28789006e+02 2.28789006e+02 cmap (0.000100) -1.05712625e+01 -1.05712625e+01 dihedral (0.000100) 7.77471530e+01 7.77471530e+01 far_exclusion (0.000100) 2.14032680e+03 2.14032680e+03 far_terms (0.000100) 2.08343713e+02 2.08343713e+02 improper (0.000100) 2.62849706e+01 2.62849706e+01 pair_elec (0.000100) -1.60969860e+02 -1.60969860e+02 pair_vdw (0.000100) 3.89312139e+00 3.89312139e+00 stretch (0.000100) 9.45643318e+01 9.45643318e+01 Total (0.000100) 2.60840797e+03 2.60840797e+03 time=0.000200 en=2.60787122e+03 E_p=-5.26990096e+01 E_k=8.86957234e-01 E_x=0.00000000e+00 P=2.23900972e+03 V=5.55025399e+04 (group) (0.000200) 0 total Kinetic (0.000200) 8.86957234e-01 8.86957234e-01 (pair) (0.000200) ( 0, 0) total angle (0.000200) 2.28679596e+02 2.28679596e+02 cmap (0.000200) -1.05713183e+01 -1.05713183e+01 dihedral (0.000200) 7.77354000e+01 7.77354000e+01 far_exclusion (0.000200) 2.14032813e+03 2.14032813e+03 far_terms (0.000200) 2.08334213e+02 2.08334213e+02 improper (0.000200) 2.62769006e+01 2.62769006e+01 pair_elec (0.000200) -1.60970245e+02 -1.60970245e+02 pair_vdw (0.000200) 3.88923962e+00 3.88923962e+00 stretch (0.000200) 9.41692699e+01 9.41692699e+01 Total (0.000200) 2.60787118e+03 2.60787118e+03 time=0.000300 en=2.60689839e+03 E_p=-5.36718340e+01 E_k=1.98857336e+00 E_x=0.00000000e+00 P=2.23150956e+03 V=5.55025399e+04 (group) (0.000300) 0 total Kinetic (0.000300) 1.98857336e+00 1.98857336e+00 (pair) (0.000300) ( 0, 0) total angle (0.000300) 2.28450375e+02 2.28450375e+02 cmap (0.000300) -1.05721453e+01 -1.05721453e+01 dihedral (0.000300) 7.77087038e+01 7.77087038e+01 far_exclusion (0.000300) 2.14033154e+03 2.14033154e+03 far_terms (0.000300) 2.08317029e+02 2.08317029e+02 improper (0.000300) 2.62528105e+01 2.62528105e+01 pair_elec (0.000300) -1.60972279e+02 -1.60972279e+02 pair_vdw (0.000300) 3.88288326e+00 3.88288326e+00 stretch (0.000300) 9.34994703e+01 9.34994703e+01 Total (0.000300) 2.60689839e+03 2.60689839e+03 time=0.000400 en=2.60548971e+03 E_p=-5.50805166e+01 E_k=3.51727821e+00 E_x=0.00000000e+00 P=2.22099236e+03 V=5.55025399e+04 (group) (0.000400) 0 total Kinetic (0.000400) 3.51727821e+00 3.51727821e+00 (pair) (0.000400) ( 0, 0) total angle (0.000400) 2.28099137e+02 2.28099137e+02 cmap (0.000400) -1.05734623e+01 -1.05734623e+01 dihedral (0.000400) 7.76662856e+01 7.76662856e+01 far_exclusion (0.000400) 2.14033732e+03 2.14033732e+03 far_terms (0.000400) 2.08291712e+02 2.08291712e+02 improper (0.000400) 2.62159482e+01 2.62159482e+01 pair_elec (0.000400) -1.60978148e+02 -1.60978148e+02 pair_vdw (0.000400) 3.87385933e+00 3.87385933e+00 stretch (0.000400) 9.25570639e+01 9.25570639e+01 Total (0.000400) 2.60548972e+03 2.60548972e+03 time=0.000500 en=2.60368207e+03 E_p=-5.68881522e+01 E_k=5.45950409e+00 E_x=0.00000000e+00 P=2.20755314e+03 V=5.55025399e+04 (group) (0.000500) 0 total Kinetic (0.000500) 5.45950409e+00 5.45950409e+00 (pair) (0.000500) ( 0, 0) total angle (0.000500) 2.27640238e+02 2.27640238e+02 cmap (0.000500) -1.05748395e+01 -1.05748395e+01 dihedral (0.000500) 7.76091036e+01 7.76091036e+01 far_exclusion (0.000500) 2.14034533e+03 2.14034533e+03 far_terms (0.000500) 2.08258651e+02 2.08258651e+02 improper (0.000500) 2.61677033e+01 2.61677033e+01 pair_elec (0.000500) -1.60986351e+02 -1.60986351e+02 pair_vdw (0.000500) 3.86208020e+00 3.86208020e+00 stretch (0.000500) 9.13601680e+01 9.13601680e+01 Total (0.000500) 2.60368208e+03 2.60368208e+03 time=0.000600 en=2.60151109e+03 E_p=-5.90591409e+01 E_k=7.79811293e+00 E_x=0.00000000e+00 P=2.19106403e+03 V=5.55025399e+04 (group) (0.000600) 0 total Kinetic (0.000600) 7.79811293e+00 7.79811293e+00 (pair) (0.000600) ( 0, 0) total angle (0.000600) 2.27080292e+02 2.27080292e+02 cmap (0.000600) -1.05763233e+01 -1.05763233e+01 dihedral (0.000600) 7.75414558e+01 7.75414558e+01 far_exclusion (0.000600) 2.14035456e+03 2.14035456e+03 far_terms (0.000600) 2.08218767e+02 2.08218767e+02 improper (0.000600) 2.61122351e+01 2.61122351e+01 pair_elec (0.000600) -1.60994342e+02 -1.60994342e+02 pair_vdw (0.000600) 3.84885188e+00 3.84885188e+00 stretch (0.000600) 8.99255723e+01 8.99255723e+01 Total (0.000600) 2.60151107e+03 2.60151107e+03 time=0.000700 en=2.59898943e+03 E_p=-6.15807940e+01 E_k=1.05124232e+01 E_x=0.00000000e+00 P=2.17161558e+03 V=5.55025399e+04 (group) (0.000700) 0 total Kinetic (0.000700) 1.05124232e+01 1.05124232e+01 (pair) (0.000700) ( 0, 0) total angle (0.000700) 2.26416949e+02 2.26416949e+02 cmap (0.000700) -1.05780246e+01 -1.05780246e+01 dihedral (0.000700) 7.74597944e+01 7.74597944e+01 far_exclusion (0.000700) 2.14036500e+03 2.14036500e+03 far_terms (0.000700) 2.08170925e+02 2.08170925e+02 improper (0.000700) 2.60446600e+01 2.60446600e+01 pair_elec (0.000700) -1.61002597e+02 -1.61002597e+02 pair_vdw (0.000700) 3.83340083e+00 3.83340083e+00 stretch (0.000700) 8.82793374e+01 8.82793374e+01 Total (0.000700) 2.59898944e+03 2.59898944e+03 time=0.000800 en=2.59614855e+03 E_p=-6.44216799e+01 E_k=1.35786727e+01 E_x=0.00000000e+00 P=2.14930281e+03 V=5.55025399e+04 (group) (0.000800) 0 total Kinetic (0.000800) 1.35786727e+01 1.35786727e+01 (pair) (0.000800) ( 0, 0) total angle (0.000800) 2.25657871e+02 2.25657871e+02 cmap (0.000800) -1.05800623e+01 -1.05800623e+01 dihedral (0.000800) 7.73671215e+01 7.73671215e+01 far_exclusion (0.000800) 2.14037724e+03 2.14037724e+03 far_terms (0.000800) 2.08115334e+02 2.08115334e+02 improper (0.000800) 2.59653183e+01 2.59653183e+01 pair_elec (0.000800) -1.61011762e+02 -1.61011762e+02 pair_vdw (0.000800) 3.81528796e+00 3.81528796e+00 stretch (0.000800) 8.64422324e+01 8.64422324e+01 Total (0.000800) 2.59614858e+03 2.59614858e+03 time=0.000900 en=2.59301466e+03 E_p=-6.75555710e+01 E_k=1.69702098e+01 E_x=0.00000000e+00 P=2.12403072e+03 V=5.55025399e+04 (group) (0.000900) 0 total Kinetic (0.000900) 1.69702098e+01 1.69702098e+01 (pair) (0.000900) ( 0, 0) total angle (0.000900) 2.24803544e+02 2.24803544e+02 cmap (0.000900) -1.05822535e+01 -1.05822535e+01 dihedral (0.000900) 7.72644962e+01 7.72644962e+01 far_exclusion (0.000900) 2.14039109e+03 2.14039109e+03 far_terms (0.000900) 2.08052693e+02 2.08052693e+02 improper (0.000900) 2.58773415e+01 2.58773415e+01 pair_elec (0.000900) -1.61021374e+02 -1.61021374e+02 pair_vdw (0.000900) 3.79505043e+00 3.79505043e+00 stretch (0.000900) 8.44340236e+01 8.44340236e+01 Total (0.000900) 2.59301461e+03 2.59301461e+03 time=0.001000 en=2.58960151e+03 E_p=-7.09687142e+01 E_k=2.06578743e+01 E_x=0.00000000e+00 P=2.09592688e+03 V=5.55025399e+04 (group) (0.001000) 0 total Kinetic (0.001000) 2.06578743e+01 2.06578743e+01 (pair) (0.001000) ( 0, 0) total angle (0.001000) 2.23852395e+02 2.23852395e+02 cmap (0.001000) -1.05849343e+01 -1.05849343e+01 dihedral (0.001000) 7.71487076e+01 7.71487076e+01 far_exclusion (0.001000) 2.14040591e+03 2.14040591e+03 far_terms (0.001000) 2.07983024e+02 2.07983024e+02 improper (0.001000) 2.57771195e+01 2.57771195e+01 pair_elec (0.001000) -1.61032821e+02 -1.61032821e+02 pair_vdw (0.001000) 3.77274891e+00 3.77274891e+00 stretch (0.001000) 8.22793432e+01 8.22793432e+01 Total (0.001000) 2.58960149e+03 2.58960149e+03 time=0.001100 en=2.58594382e+03 E_p=-7.46264081e+01 E_k=2.46103100e+01 E_x=0.00000000e+00 P=2.06489623e+03 V=5.55025399e+04 (group) (0.001100) 0 total Kinetic (0.001100) 2.46103100e+01 2.46103100e+01 (pair) (0.001100) ( 0, 0) total angle (0.001100) 2.22808119e+02 2.22808119e+02 cmap (0.001100) -1.05878404e+01 -1.05878404e+01 dihedral (0.001100) 7.70189206e+01 7.70189206e+01 far_exclusion (0.001100) 2.14042252e+03 2.14042252e+03 far_terms (0.001100) 2.07906992e+02 2.07906992e+02 improper (0.001100) 2.56704192e+01 2.56704192e+01 pair_elec (0.001100) -1.61045834e+02 -1.61045834e+02 pair_vdw (0.001100) 3.74811937e+00 3.74811937e+00 stretch (0.001100) 8.00024029e+01 8.00024029e+01 Total (0.001100) 2.58594382e+03 2.58594382e+03 time=0.001200 en=2.58207980e+03 E_p=-7.84904248e+01 E_k=2.87943397e+01 E_x=0.00000000e+00 P=2.03089573e+03 V=5.55025399e+04 (group) (0.001200) 0 total Kinetic (0.001200) 2.87943397e+01 2.87943397e+01 (pair) (0.001200) ( 0, 0) total angle (0.001200) 2.21681076e+02 2.21681076e+02 cmap (0.001200) -1.05910118e+01 -1.05910118e+01 dihedral (0.001200) 7.68785558e+01 7.68785558e+01 far_exclusion (0.001200) 2.14044061e+03 2.14044061e+03 far_terms (0.001200) 2.07824828e+02 2.07824828e+02 improper (0.001200) 2.55518178e+01 2.55518178e+01 pair_elec (0.001200) -1.61059467e+02 -1.61059467e+02 pair_vdw (0.001200) 3.72077623e+00 3.72077623e+00 stretch (0.001200) 7.76326413e+01 7.76326413e+01 Total (0.001200) 2.58207983e+03 2.58207983e+03 time=0.001300 en=2.57804541e+03 E_p=-8.25248191e+01 E_k=3.31754184e+01 E_x=0.00000000e+00 P=1.99431148e+03 V=5.55025399e+04 (group) (0.001300) 0 total Kinetic (0.001300) 3.31754184e+01 3.31754184e+01 (pair) (0.001300) ( 0, 0) total angle (0.001300) 2.20471074e+02 2.20471074e+02 cmap (0.001300) -1.05944935e+01 -1.05944935e+01 dihedral (0.001300) 7.67282560e+01 7.67282560e+01 far_exclusion (0.001300) 2.14046015e+03 2.14046015e+03 far_terms (0.001300) 2.07736319e+02 2.07736319e+02 improper (0.001300) 2.54243368e+01 2.54243368e+01 pair_elec (0.001300) -1.61073474e+02 -1.61073474e+02 pair_vdw (0.001300) 3.69115390e+00 3.69115390e+00 stretch (0.001300) 7.52020942e+01 7.52020942e+01 Total (0.001300) 2.57804541e+03 2.57804541e+03 time=0.001400 en=2.57386745e+03 E_p=-8.67027753e+01 E_k=3.77178942e+01 E_x=0.00000000e+00 P=1.95500846e+03 V=5.55025399e+04 (group) (0.001400) 0 total Kinetic (0.001400) 3.77178942e+01 3.77178942e+01 (pair) (0.001400) ( 0, 0) total angle (0.001400) 2.19169229e+02 2.19169229e+02 cmap (0.001400) -1.05984961e+01 -1.05984961e+01 dihedral (0.001400) 7.65649005e+01 7.65649005e+01 far_exclusion (0.001400) 2.14048025e+03 2.14048025e+03 far_terms (0.001400) 2.07642215e+02 2.07642215e+02 improper (0.001400) 2.52897775e+01 2.52897775e+01 pair_elec (0.001400) -1.61085407e+02 -1.61085407e+02 pair_vdw (0.001400) 3.65991298e+00 3.65991298e+00 stretch (0.001400) 7.27450118e+01 7.27450118e+01 Total (0.001400) 2.57386740e+03 2.57386740e+03 time=0.001500 en=2.56958605e+03 E_p=-9.09841761e+01 E_k=4.23855690e+01 E_x=0.00000000e+00 P=1.91299561e+03 V=5.55025399e+04 (group) (0.001500) 0 total Kinetic (0.001500) 4.23855690e+01 4.23855690e+01 (pair) (0.001500) ( 0, 0) total angle (0.001500) 2.17790147e+02 2.17790147e+02 cmap (0.001500) -1.06026630e+01 -1.06026630e+01 dihedral (0.001500) 7.63891112e+01 7.63891112e+01 far_exclusion (0.001500) 2.14050141e+03 2.14050141e+03 far_terms (0.001500) 2.07542047e+02 2.07542047e+02 improper (0.001500) 2.51441787e+01 2.51441787e+01 pair_elec (0.001500) -1.61097000e+02 -1.61097000e+02 pair_vdw (0.001500) 3.62775382e+00 3.62775382e+00 stretch (0.001500) 7.02910893e+01 7.02910893e+01 Total (0.001500) 2.56958608e+03 2.56958608e+03 time=0.001600 en=2.56524234e+03 E_p=-9.53278869e+01 E_k=4.71420989e+01 E_x=0.00000000e+00 P=1.86861039e+03 V=5.55025399e+04 (group) (0.001600) 0 total Kinetic (0.001600) 4.71420989e+01 4.71420989e+01 (pair) (0.001600) ( 0, 0) total angle (0.001600) 2.16338621e+02 2.16338621e+02 cmap (0.001600) -1.06068231e+01 -1.06068231e+01 dihedral (0.001600) 7.62027399e+01 7.62027399e+01 far_exclusion (0.001600) 2.14052374e+03 2.14052374e+03 far_terms (0.001600) 2.07436400e+02 2.07436400e+02 improper (0.001600) 2.49897230e+01 2.49897230e+01 pair_elec (0.001600) -1.61110457e+02 -1.61110457e+02 pair_vdw (0.001600) 3.59425434e+00 3.59425434e+00 stretch (0.001600) 6.78741166e+01 6.78741166e+01 Total (0.001600) 2.56524231e+03 2.56524231e+03 time=0.001700 en=2.56087709e+03 E_p=-9.96931337e+01 E_k=5.19513846e+01 E_x=0.00000000e+00 P=1.82174279e+03 V=5.55025399e+04 (group) (0.001700) 0 total Kinetic (0.001700) 5.19513846e+01 5.19513846e+01 (pair) (0.001700) ( 0, 0) total angle (0.001700) 2.14821780e+02 2.14821780e+02 cmap (0.001700) -1.06113237e+01 -1.06113237e+01 dihedral (0.001700) 7.60079929e+01 7.60079929e+01 far_exclusion (0.001700) 2.14054641e+03 2.14054641e+03 far_terms (0.001700) 2.07325216e+02 2.07325216e+02 improper (0.001700) 2.48283322e+01 2.48283322e+01 pair_elec (0.001700) -1.61123297e+02 -1.61123297e+02 pair_vdw (0.001700) 3.55835429e+00 3.55835429e+00 stretch (0.001700) 6.55236531e+01 6.55236531e+01 Total (0.001700) 2.56087711e+03 2.56087711e+03 time=0.001800 en=2.55650442e+03 E_p=-1.04065809e+02 E_k=5.67780124e+01 E_x=0.00000000e+00 P=1.77238159e+03 V=5.55025399e+04 (group) (0.001800) 0 total Kinetic (0.001800) 5.67780124e+01 5.67780124e+01 (pair) (0.001800) ( 0, 0) total angle (0.001800) 2.13229620e+02 2.13229620e+02 cmap (0.001800) -1.06163496e+01 -1.06163496e+01 dihedral (0.001800) 7.58006105e+01 7.58006105e+01 far_exclusion (0.001800) 2.14057006e+03 2.14057006e+03 far_terms (0.001800) 2.07208743e+02 2.07208743e+02 improper (0.001800) 2.46584308e+01 2.46584308e+01 pair_elec (0.001800) -1.61134551e+02 -1.61134551e+02 pair_vdw (0.001800) 3.52047277e+00 3.52047277e+00 stretch (0.001800) 6.32673836e+01 6.32673836e+01 Total (0.001800) 2.55650442e+03 2.55650442e+03 time=0.001900 en=2.55216498e+03 E_p=-1.08405249e+02 E_k=6.15873359e+01 E_x=0.00000000e+00 P=1.72086188e+03 V=5.55025399e+04 (group) (0.001900) 0 total Kinetic (0.001900) 6.15873359e+01 6.15873359e+01 (pair) (0.001900) ( 0, 0) total angle (0.001900) 2.11568827e+02 2.11568827e+02 cmap (0.001900) -1.06213802e+01 -1.06213802e+01 dihedral (0.001900) 7.55837908e+01 7.55837908e+01 far_exclusion (0.001900) 2.14059453e+03 2.14059453e+03 far_terms (0.001900) 2.07087690e+02 2.07087690e+02 improper (0.001900) 2.44830444e+01 2.44830444e+01 pair_elec (0.001900) -1.61145431e+02 -1.61145431e+02 pair_vdw (0.001900) 3.48192757e+00 3.48192757e+00 stretch (0.001900) 6.11319091e+01 6.11319091e+01 Total (0.001900) 2.55216491e+03 2.55216491e+03 time=0.002000 en=2.54789708e+03 E_p=-1.12673145e+02 E_k=6.63466585e+01 E_x=0.00000000e+00 P=1.66712978e+03 V=5.55025399e+04 (group) (0.002000) 0 total Kinetic (0.002000) 6.63466585e+01 6.63466585e+01 (pair) (0.002000) ( 0, 0) total angle (0.002000) 2.09844572e+02 2.09844572e+02 cmap (0.002000) -1.06265395e+01 -1.06265395e+01 dihedral (0.002000) 7.53579449e+01 7.53579449e+01 far_exclusion (0.002000) 2.14061959e+03 2.14061959e+03 far_terms (0.002000) 2.06962335e+02 2.06962335e+02 improper (0.002000) 2.42971910e+01 2.42971910e+01 pair_elec (0.002000) -1.61155116e+02 -1.61155116e+02 pair_vdw (0.002000) 3.44211893e+00 3.44211893e+00 stretch (0.002000) 5.91550208e+01 5.91550208e+01 Total (0.002000) 2.54789712e+03 2.54789712e+03 time=0.002100 en=2.54372890e+03 E_p=-1.16841322e+02 E_k=7.10247211e+01 E_x=0.00000000e+00 P=1.61126175e+03 V=5.55025399e+04 (group) (0.002100) 0 total Kinetic (0.002100) 7.10247211e+01 7.10247211e+01 (pair) (0.002100) ( 0, 0) total angle (0.002100) 2.08063644e+02 2.08063644e+02 cmap (0.002100) -1.06320582e+01 -1.06320582e+01 dihedral (0.002100) 7.51225128e+01 7.51225128e+01 far_exclusion (0.002100) 2.14064453e+03 2.14064453e+03 far_terms (0.002100) 2.06832775e+02 2.06832775e+02 improper (0.002100) 2.41013861e+01 2.41013861e+01 pair_elec (0.002100) -1.61160671e+02 -1.61160671e+02 pair_vdw (0.002100) 3.40045509e+00 3.40045509e+00 stretch (0.002100) 5.73563532e+01 5.73563532e+01 Total (0.002100) 2.54372893e+03 2.54372893e+03 time=0.002200 en=2.53968448e+03 E_p=-1.20885742e+02 E_k=7.55931337e+01 E_x=0.00000000e+00 P=1.55351681e+03 V=5.55025399e+04 (group) (0.002200) 0 total Kinetic (0.002200) 7.55931337e+01 7.55931337e+01 (pair) (0.002200) ( 0, 0) total angle (0.002200) 2.06225409e+02 2.06225409e+02 cmap (0.002200) -1.06377520e+01 -1.06377520e+01 dihedral (0.002200) 7.48756892e+01 7.48756892e+01 far_exclusion (0.002200) 2.14066963e+03 2.14066963e+03 far_terms (0.002200) 2.06700090e+02 2.06700090e+02 improper (0.002200) 2.38991520e+01 2.38991520e+01 pair_elec (0.002200) -1.61165756e+02 -1.61165756e+02 pair_vdw (0.002200) 3.35739579e+00 3.35739579e+00 stretch (0.002200) 5.57606681e+01 5.57606681e+01 Total (0.002200) 2.53968452e+03 2.53968452e+03 time=0.002300 en=2.53579547e+03 E_p=-1.24774757e+02 E_k=8.00252638e+01 E_x=0.00000000e+00 P=1.49384503e+03 V=5.55025399e+04 (group) (0.002300) 0 total Kinetic (0.002300) 8.00252638e+01 8.00252638e+01 (pair) (0.002300) ( 0, 0) total angle (0.002300) 2.04341704e+02 2.04341704e+02 cmap (0.002300) -1.06438394e+01 -1.06438394e+01 dihedral (0.002300) 7.46196539e+01 7.46196539e+01 far_exclusion (0.002300) 2.14069435e+03 2.14069435e+03 far_terms (0.002300) 2.06563981e+02 2.06563981e+02 improper (0.002300) 2.36894731e+01 2.36894731e+01 pair_elec (0.002300) -1.61166929e+02 -1.61166929e+02 pair_vdw (0.002300) 3.31381831e+00 3.31381831e+00 stretch (0.002300) 5.43832959e+01 5.43832959e+01 Total (0.002300) 2.53579551e+03 2.53579551e+03 time=0.002400 en=2.53207967e+03 E_p=-1.28490553e+02 E_k=8.42977073e+01 E_x=0.00000000e+00 P=1.43251032e+03 V=5.55025399e+04 (group) (0.002400) 0 total Kinetic (0.002400) 8.42977073e+01 8.42977073e+01 (pair) (0.002400) ( 0, 0) total angle (0.002400) 2.02416464e+02 2.02416464e+02 cmap (0.002400) -1.06504372e+01 -1.06504372e+01 dihedral (0.002400) 7.43555651e+01 7.43555651e+01 far_exclusion (0.002400) 2.14071973e+03 2.14071973e+03 far_terms (0.002400) 2.06425189e+02 2.06425189e+02 improper (0.002400) 2.34725684e+01 2.34725684e+01 pair_elec (0.002400) -1.61168118e+02 -1.61168118e+02 pair_vdw (0.002400) 3.26973546e+00 3.26973546e+00 stretch (0.002400) 5.32389428e+01 5.32389428e+01 Total (0.002400) 2.53207964e+03 2.53207964e+03 time=0.002500 en=2.52854992e+03 E_p=-1.32020306e+02 E_k=8.83894866e+01 E_x=0.00000000e+00 P=1.36946176e+03 V=5.55025399e+04 (group) (0.002500) 0 total Kinetic (0.002500) 8.83894866e+01 8.83894866e+01 (pair) (0.002500) ( 0, 0) total angle (0.002500) 2.00445545e+02 2.00445545e+02 cmap (0.002500) -1.06570991e+01 -1.06570991e+01 dihedral (0.002500) 7.40838925e+01 7.40838925e+01 far_exclusion (0.002500) 2.14074509e+03 2.14074509e+03 far_terms (0.002500) 2.06283120e+02 2.06283120e+02 improper (0.002500) 2.32478878e+01 2.32478878e+01 pair_elec (0.002500) -1.61165477e+02 -1.61165477e+02 pair_vdw (0.002500) 3.22405057e+00 3.22405057e+00 stretch (0.002500) 5.23430063e+01 5.23430063e+01 Total (0.002500) 2.52855001e+03 2.52855001e+03 time=0.002600 en=2.52522224e+03 E_p=-1.35347985e+02 E_k=9.22833976e+01 E_x=0.00000000e+00 P=1.30507681e+03 V=5.55025399e+04 (group) (0.002600) 0 total Kinetic (0.002600) 9.22833976e+01 9.22833976e+01 (pair) (0.002600) ( 0, 0) total angle (0.002600) 1.98437382e+02 1.98437382e+02 cmap (0.002600) -1.06639068e+01 -1.06639068e+01 dihedral (0.002600) 7.38044055e+01 7.38044055e+01 far_exclusion (0.002600) 2.14077039e+03 2.14077039e+03 far_terms (0.002600) 2.06138243e+02 2.06138243e+02 improper (0.002600) 2.30147942e+01 2.30147942e+01 pair_elec (0.002600) -1.61162249e+02 -1.61162249e+02 pair_vdw (0.002600) 3.17778349e+00 3.17778349e+00 stretch (0.002600) 5.17054187e+01 5.17054187e+01 Total (0.002600) 2.52522226e+03 2.52522226e+03 time=0.002700 en=2.52211046e+03 E_p=-1.38459765e+02 E_k=9.59651075e+01 E_x=0.00000000e+00 P=1.23923694e+03 V=5.55025399e+04 (group) (0.002700) 0 total Kinetic (0.002700) 9.59651075e+01 9.59651075e+01 (pair) (0.002700) ( 0, 0) total angle (0.002700) 1.96392633e+02 1.96392633e+02 cmap (0.002700) -1.06709018e+01 -1.06709018e+01 dihedral (0.002700) 7.35171821e+01 7.35171821e+01 far_exclusion (0.002700) 2.14079608e+03 2.14079608e+03 far_terms (0.002700) 2.05990606e+02 2.05990606e+02 improper (0.002700) 2.27770283e+01 2.27770283e+01 pair_elec (0.002700) -1.61156750e+02 -1.61156750e+02 pair_vdw (0.002700) 3.13087232e+00 3.13087232e+00 stretch (0.002700) 5.13337281e+01 5.13337281e+01 Total (0.002700) 2.52211048e+03 2.52211048e+03 time=0.002800 en=2.51923202e+03 E_p=-1.41338211e+02 E_k=9.94239567e+01 E_x=0.00000000e+00 P=1.17233365e+03 V=5.55025399e+04 (group) (0.002800) 0 total Kinetic (0.002800) 9.94239567e+01 9.94239567e+01 (pair) (0.002800) ( 0, 0) total angle (0.002800) 1.94325073e+02 1.94325073e+02 cmap (0.002800) -1.06778884e+01 -1.06778884e+01 dihedral (0.002800) 7.32223717e+01 7.32223717e+01 far_exclusion (0.002800) 2.14082162e+03 2.14082162e+03 far_terms (0.002800) 2.05841152e+02 2.05841152e+02 improper (0.002800) 2.25344727e+01 2.25344727e+01 pair_elec (0.002800) -1.61149591e+02 -1.61149591e+02 pair_vdw (0.002800) 3.08305425e+00 3.08305425e+00 stretch (0.002800) 5.12317447e+01 5.12317447e+01 Total (0.002800) 2.51923201e+03 2.51923201e+03 time=0.002900 en=2.51659523e+03 E_p=-1.43975001e+02 E_k=1.02653040e+02 E_x=0.00000000e+00 P=1.10455498e+03 V=5.55025399e+04 (group) (0.002900) 0 total Kinetic (0.002900) 1.02653040e+02 1.02653040e+02 (pair) (0.002900) ( 0, 0) total angle (0.002900) 1.92237676e+02 1.92237676e+02 cmap (0.002900) -1.06849685e+01 -1.06849685e+01 dihedral (0.002900) 7.29192328e+01 7.29192328e+01 far_exclusion (0.002900) 2.14084658e+03 2.14084658e+03 far_terms (0.002900) 2.05690696e+02 2.05690696e+02 improper (0.002900) 2.22881862e+01 2.22881862e+01 pair_elec (0.002900) -1.61139491e+02 -1.61139491e+02 pair_vdw (0.002900) 3.03531629e+00 3.03531629e+00 stretch (0.002900) 5.14020147e+01 5.14020147e+01 Total (0.002900) 2.51659524e+03 2.51659524e+03 time=0.003000 en=2.51419833e+03 E_p=-1.46371897e+02 E_k=1.05648826e+02 E_x=0.00000000e+00 P=1.03610869e+03 V=5.55025399e+04 (group) (0.003000) 0 total Kinetic (0.003000) 1.05648826e+02 1.05648826e+02 (pair) (0.003000) ( 0, 0) total angle (0.003000) 1.90131504e+02 1.90131504e+02 cmap (0.003000) -1.06923321e+01 -1.06923321e+01 dihedral (0.003000) 7.26087944e+01 7.26087944e+01 far_exclusion (0.003000) 2.14087099e+03 2.14087099e+03 far_terms (0.003000) 2.05538389e+02 2.05538389e+02 improper (0.003000) 2.20364078e+01 2.20364078e+01 pair_elec (0.003000) -1.61124379e+02 -1.61124379e+02 pair_vdw (0.003000) 2.98758997e+00 2.98758997e+00 stretch (0.003000) 5.18413104e+01 5.18413104e+01 Total (0.003000) 2.51419828e+03 2.51419828e+03 time=0.003100 en=2.51204295e+03 E_p=-1.48527280e+02 E_k=1.08411426e+02 E_x=0.00000000e+00 P=9.67096304e+02 V=5.55025399e+04 (group) (0.003100) 0 total Kinetic (0.003100) 1.08411426e+02 1.08411426e+02 (pair) (0.003100) ( 0, 0) total angle (0.003100) 1.88018393e+02 1.88018393e+02 cmap (0.003100) -1.07002147e+01 -1.07002147e+01 dihedral (0.003100) 7.22922267e+01 7.22922267e+01 far_exclusion (0.003100) 2.14089411e+03 2.14089411e+03 far_terms (0.003100) 2.05384962e+02 2.05384962e+02 improper (0.003100) 2.17801400e+01 2.17801400e+01 pair_elec (0.003100) -1.61103759e+02 -1.61103759e+02 pair_vdw (0.003100) 2.93922453e+00 2.93922453e+00 stretch (0.003100) 5.25378570e+01 5.25378570e+01 Total (0.003100) 2.51204294e+03 2.51204294e+03 time=0.003200 en=2.51011992e+03 E_p=-1.50450306e+02 E_k=1.10944351e+02 E_x=0.00000000e+00 P=8.97891455e+02 V=5.55025399e+04 (group) (0.003200) 0 total Kinetic (0.003200) 1.10944351e+02 1.10944351e+02 (pair) (0.003200) ( 0, 0) total angle (0.003200) 1.85896351e+02 1.85896351e+02 cmap (0.003200) -1.07086405e+01 -1.07086405e+01 dihedral (0.003200) 7.19690309e+01 7.19690309e+01 far_exclusion (0.003200) 2.14091637e+03 2.14091637e+03 far_terms (0.003200) 2.05231523e+02 2.05231523e+02 improper (0.003200) 2.15191038e+01 2.15191038e+01 pair_elec (0.003200) -1.61079700e+02 -1.61079700e+02 pair_vdw (0.003200) 2.89097207e+00 2.89097207e+00 stretch (0.003200) 5.34849427e+01 5.34849427e+01 Total (0.003200) 2.51011995e+03 2.51011995e+03 time=0.003300 en=2.50841730e+03 E_p=-1.52152926e+02 E_k=1.13253893e+02 E_x=0.00000000e+00 P=8.28462234e+02 V=5.55025399e+04 (group) (0.003300) 0 total Kinetic (0.003300) 1.13253893e+02 1.13253893e+02 (pair) (0.003300) ( 0, 0) total angle (0.003300) 1.83762993e+02 1.83762993e+02 cmap (0.003300) -1.07171985e+01 -1.07171985e+01 dihedral (0.003300) 7.16395195e+01 7.16395195e+01 far_exclusion (0.003300) 2.14093812e+03 2.14093812e+03 far_terms (0.003300) 2.05077885e+02 2.05077885e+02 improper (0.003300) 2.12545093e+01 2.12545093e+01 pair_elec (0.003300) -1.61051925e+02 -1.61051925e+02 pair_vdw (0.003300) 2.84218987e+00 2.84218987e+00 stretch (0.003300) 5.46712243e+01 5.46712243e+01 Total (0.003300) 2.50841732e+03 2.50841732e+03 time=0.003400 en=2.50692314e+03 E_p=-1.53647087e+02 E_k=1.15349854e+02 E_x=0.00000000e+00 P=7.59008292e+02 V=5.55025399e+04 (group) (0.003400) 0 total Kinetic (0.003400) 1.15349854e+02 1.15349854e+02 (pair) (0.003400) ( 0, 0) total angle (0.003400) 1.81624527e+02 1.81624527e+02 cmap (0.003400) -1.07258177e+01 -1.07258177e+01 dihedral (0.003400) 7.13035977e+01 7.13035977e+01 far_exclusion (0.003400) 2.14095908e+03 2.14095908e+03 far_terms (0.003400) 2.04924155e+02 2.04924155e+02 improper (0.003400) 2.09854954e+01 2.09854954e+01 pair_elec (0.003400) -1.61020285e+02 -1.61020285e+02 pair_vdw (0.003400) 2.79332059e+00 2.79332059e+00 stretch (0.003400) 5.60790726e+01 5.60790726e+01 Total (0.003400) 2.50692315e+03 2.50692315e+03 time=0.003500 en=2.50562794e+03 E_p=-1.54942285e+02 E_k=1.17245053e+02 E_x=0.00000000e+00 P=6.89763385e+02 V=5.55025399e+04 (group) (0.003500) 0 total Kinetic (0.003500) 1.17245053e+02 1.17245053e+02 (pair) (0.003500) ( 0, 0) total angle (0.003500) 1.79491473e+02 1.79491473e+02 cmap (0.003500) -1.07346870e+01 -1.07346870e+01 dihedral (0.003500) 7.09623426e+01 7.09623426e+01 far_exclusion (0.003500) 2.14097889e+03 2.14097889e+03 far_terms (0.003500) 2.04770444e+02 2.04770444e+02 improper (0.003500) 2.07121407e+01 2.07121407e+01 pair_elec (0.003500) -1.60983091e+02 -1.60983091e+02 pair_vdw (0.003500) 2.74553084e+00 2.74553084e+00 stretch (0.003500) 5.76849158e+01 5.76849158e+01 Total (0.003500) 2.50562796e+03 2.50562796e+03 time=0.003600 en=2.50451746e+03 E_p=-1.56052768e+02 E_k=1.18955216e+02 E_x=0.00000000e+00 P=6.21113153e+02 V=5.55025399e+04 (group) (0.003600) 0 total Kinetic (0.003600) 1.18955216e+02 1.18955216e+02 (pair) (0.003600) ( 0, 0) total angle (0.003600) 1.77364299e+02 1.77364299e+02 cmap (0.003600) -1.07439644e+01 -1.07439644e+01 dihedral (0.003600) 7.06169280e+01 7.06169280e+01 far_exclusion (0.003600) 2.14099728e+03 2.14099728e+03 far_terms (0.003600) 2.04617727e+02 2.04617727e+02 improper (0.003600) 2.04362439e+01 2.04362439e+01 pair_elec (0.003600) -1.60940464e+02 -1.60940464e+02 pair_vdw (0.003600) 2.69824350e+00 2.69824350e+00 stretch (0.003600) 5.94711618e+01 5.94711618e+01 Total (0.003600) 2.50451745e+03 2.50451745e+03 time=0.003700 en=2.50357597e+03 E_p=-1.56994254e+02 E_k=1.20498212e+02 E_x=0.00000000e+00 P=5.53064597e+02 V=5.55025399e+04 (group) (0.003700) 0 total Kinetic (0.003700) 1.20498212e+02 1.20498212e+02 (pair) (0.003700) ( 0, 0) total angle (0.003700) 1.75253224e+02 1.75253224e+02 cmap (0.003700) -1.07534040e+01 -1.07534040e+01 dihedral (0.003700) 7.02686270e+01 7.02686270e+01 far_exclusion (0.003700) 2.14101465e+03 2.14101465e+03 far_terms (0.003700) 2.04466047e+02 2.04466047e+02 improper (0.003700) 2.01566868e+01 2.01566868e+01 pair_elec (0.003700) -1.60894678e+02 -1.60894678e+02 pair_vdw (0.003700) 2.65098485e+00 2.65098485e+00 stretch (0.003700) 6.14138407e+01 6.14138407e+01 Total (0.003700) 2.50357598e+03 2.50357598e+03 time=0.003800 en=2.50278133e+03 E_p=-1.57788892e+02 E_k=1.21893842e+02 E_x=0.00000000e+00 P=4.85887086e+02 V=5.55025399e+04 (group) (0.003800) 0 total Kinetic (0.003800) 1.21893842e+02 1.21893842e+02 (pair) (0.003800) ( 0, 0) total angle (0.003800) 1.73158359e+02 1.73158359e+02 cmap (0.003800) -1.07630614e+01 -1.07630614e+01 dihedral (0.003800) 6.99142887e+01 6.99142887e+01 far_exclusion (0.003800) 2.14103041e+03 2.14103041e+03 far_terms (0.003800) 2.04315432e+02 2.04315432e+02 improper (0.003800) 1.98769103e+01 1.98769103e+01 pair_elec (0.003800) -1.60842230e+02 -1.60842230e+02 pair_vdw (0.003800) 2.60467782e+00 2.60467782e+00 stretch (0.003800) 6.34865200e+01 6.34865200e+01 Total (0.003800) 2.50278131e+03 2.50278131e+03 time=0.003900 en=2.50210196e+03 E_p=-1.58468264e+02 E_k=1.23163761e+02 E_x=0.00000000e+00 P=4.19734429e+02 V=5.55025399e+04 (group) (0.003900) 0 total Kinetic (0.003900) 1.23163761e+02 1.23163761e+02 (pair) (0.003900) ( 0, 0) total angle (0.003900) 1.71075056e+02 1.71075056e+02 cmap (0.003900) -1.07730491e+01 -1.07730491e+01 dihedral (0.003900) 6.95571775e+01 6.95571775e+01 far_exclusion (0.003900) 2.14104497e+03 2.14104497e+03 far_terms (0.003900) 2.04166412e+02 2.04166412e+02 improper (0.003900) 1.95939337e+01 1.95939337e+01 pair_elec (0.003900) -1.60782999e+02 -1.60782999e+02 pair_vdw (0.003900) 2.55945462e+00 2.55945462e+00 stretch (0.003900) 6.56609847e+01 6.56609847e+01 Total (0.003900) 2.50210194e+03 2.50210194e+03 time=0.004000 en=2.50152309e+03 E_p=-1.59047138e+02 E_k=1.24330967e+02 E_x=0.00000000e+00 P=3.54969162e+02 V=5.55025399e+04 (group) (0.004000) 0 total Kinetic (0.004000) 1.24330967e+02 1.24330967e+02 (pair) (0.004000) ( 0, 0) total angle (0.004000) 1.69021741e+02 1.69021741e+02 cmap (0.004000) -1.07834689e+01 -1.07834689e+01 dihedral (0.004000) 6.91961070e+01 6.91961070e+01 far_exclusion (0.004000) 2.14105807e+03 2.14105807e+03 far_terms (0.004000) 2.04019198e+02 2.04019198e+02 improper (0.004000) 1.93079232e+01 1.93079232e+01 pair_elec (0.004000) -1.60720646e+02 -1.60720646e+02 pair_vdw (0.004000) 2.51475123e+00 2.51475123e+00 stretch (0.004000) 6.79094303e+01 6.79094303e+01 Total (0.004000) 2.50152311e+03 2.50152311e+03 time=0.004100 en=2.50102170e+03 E_p=-1.59548527e+02 E_k=1.25419648e+02 E_x=0.00000000e+00 P=2.91701909e+02 V=5.55025399e+04 (group) (0.004100) 0 total Kinetic (0.004100) 1.25419648e+02 1.25419648e+02 (pair) (0.004100) ( 0, 0) total angle (0.004100) 1.66999584e+02 1.66999584e+02 cmap (0.004100) -1.07939646e+01 -1.07939646e+01 dihedral (0.004100) 6.88312574e+01 6.88312574e+01 far_exclusion (0.004100) 2.14106953e+03 2.14106953e+03 far_terms (0.004100) 2.03873529e+02 2.03873529e+02 improper (0.004100) 1.90227936e+01 1.90227936e+01 pair_elec (0.004100) -1.60652266e+02 -1.60652266e+02 pair_vdw (0.004100) 2.47004959e+00 2.47004959e+00 stretch (0.004100) 7.02011549e+01 7.02011549e+01 Total (0.004100) 2.50102167e+03 2.50102167e+03 time=0.004200 en=2.50056530e+03 E_p=-1.60004922e+02 E_k=1.26454616e+02 E_x=0.00000000e+00 P=2.30184307e+02 V=5.55025399e+04 (group) (0.004200) 0 total Kinetic (0.004200) 1.26454616e+02 1.26454616e+02 (pair) (0.004200) ( 0, 0) total angle (0.004200) 1.65007218e+02 1.65007218e+02 cmap (0.004200) -1.08047910e+01 -1.08047910e+01 dihedral (0.004200) 6.84641554e+01 6.84641554e+01 far_exclusion (0.004200) 2.14108005e+03 2.14108005e+03 far_terms (0.004200) 2.03729485e+02 2.03729485e+02 improper (0.004200) 1.87380765e+01 1.87380765e+01 pair_elec (0.004200) -1.60580850e+02 -1.60580850e+02 pair_vdw (0.004200) 2.42607619e+00 2.42607619e+00 stretch (0.004200) 7.25059203e+01 7.25059203e+01 Total (0.004200) 2.50056534e+03 2.50056534e+03 time=0.004300 en=2.50013076e+03 E_p=-1.60439467e+02 E_k=1.27461119e+02 E_x=0.00000000e+00 P=1.70515522e+02 V=5.55025399e+04 (group) (0.004300) 0 total Kinetic (0.004300) 1.27461119e+02 1.27461119e+02 (pair) (0.004300) ( 0, 0) total angle (0.004300) 1.63049982e+02 1.63049982e+02 cmap (0.004300) -1.08157532e+01 -1.08157532e+01 dihedral (0.004300) 6.80940789e+01 6.80940789e+01 far_exclusion (0.004300) 2.14108947e+03 2.14108947e+03 far_terms (0.004300) 2.03587459e+02 2.03587459e+02 improper (0.004300) 1.84544731e+01 1.84544731e+01 pair_elec (0.004300) -1.60505318e+02 -1.60505318e+02 pair_vdw (0.004300) 2.38264664e+00 2.38264664e+00 stretch (0.004300) 7.47937402e+01 7.47937402e+01 Total (0.004300) 2.50013078e+03 2.50013078e+03 time=0.004400 en=2.49968262e+03 E_p=-1.60887605e+02 E_k=1.28464024e+02 E_x=0.00000000e+00 P=1.12973328e+02 V=5.55025399e+04 (group) (0.004400) 0 total Kinetic (0.004400) 1.28464024e+02 1.28464024e+02 (pair) (0.004400) ( 0, 0) total angle (0.004400) 1.61131426e+02 1.61131426e+02 cmap (0.004400) -1.08269200e+01 -1.08269200e+01 dihedral (0.004400) 6.77228997e+01 6.77228997e+01 far_exclusion (0.004400) 2.14109805e+03 2.14109805e+03 far_terms (0.004400) 2.03448157e+02 2.03448157e+02 improper (0.004400) 1.81666351e+01 1.81666351e+01 pair_elec (0.004400) -1.60427295e+02 -1.60427295e+02 pair_vdw (0.004400) 2.34049153e+00 2.34049153e+00 stretch (0.004400) 7.70291643e+01 7.70291643e+01 Total (0.004400) 2.49968261e+03 2.49968261e+03 time=0.004500 en=2.49919753e+03 E_p=-1.61372700e+02 E_k=1.29487939e+02 E_x=0.00000000e+00 P=5.76854172e+01 V=5.55025399e+04 (group) (0.004500) 0 total Kinetic (0.004500) 1.29487939e+02 1.29487939e+02 (pair) (0.004500) ( 0, 0) total angle (0.004500) 1.59252125e+02 1.59252125e+02 cmap (0.004500) -1.08383515e+01 -1.08383515e+01 dihedral (0.004500) 6.73502113e+01 6.73502113e+01 far_exclusion (0.004500) 2.14110511e+03 2.14110511e+03 far_terms (0.004500) 2.03311920e+02 2.03311920e+02 improper (0.004500) 1.78778537e+01 1.78778537e+01 pair_elec (0.004500) -1.60345552e+02 -1.60345552e+02 pair_vdw (0.004500) 2.29929669e+00 2.29929669e+00 stretch (0.004500) 7.91849217e+01 7.91849217e+01 Total (0.004500) 2.49919753e+03 2.49919753e+03 time=0.004600 en=2.49865757e+03 E_p=-1.61912655e+02 E_k=1.30556545e+02 E_x=0.00000000e+00 P=4.79346931e+00 V=5.55025399e+04 (group) (0.004600) 0 total Kinetic (0.004600) 1.30556545e+02 1.30556545e+02 (pair) (0.004600) ( 0, 0) total angle (0.004600) 1.57415828e+02 1.57415828e+02 cmap (0.004600) -1.08502577e+01 -1.08502577e+01 dihedral (0.004600) 6.69770017e+01 6.69770017e+01 far_exclusion (0.004600) 2.14111033e+03 2.14111033e+03 far_terms (0.004600) 2.03179925e+02 2.03179925e+02 improper (0.004600) 1.75914604e+01 1.75914604e+01 pair_elec (0.004600) -1.60258247e+02 -1.60258247e+02 pair_vdw (0.004600) 2.25931325e+00 2.25931325e+00 stretch (0.004600) 8.12321631e+01 8.12321631e+01 Total (0.004600) 2.49865752e+03 2.49865752e+03 time=0.004700 en=2.49804145e+03 E_p=-1.62528773e+02 E_k=1.31692402e+02 E_x=0.00000000e+00 P=-4.54718290e+01 V=5.55025399e+04 (group) (0.004700) 0 total Kinetic (0.004700) 1.31692402e+02 1.31692402e+02 (pair) (0.004700) ( 0, 0) total angle (0.004700) 1.55627913e+02 1.55627913e+02 cmap (0.004700) -1.08624253e+01 -1.08624253e+01 dihedral (0.004700) 6.66033930e+01 6.66033930e+01 far_exclusion (0.004700) 2.14111412e+03 2.14111412e+03 far_terms (0.004700) 2.03051586e+02 2.03051586e+02 improper (0.004700) 1.73059857e+01 1.73059857e+01 pair_elec (0.004700) -1.60165923e+02 -1.60165923e+02 pair_vdw (0.004700) 2.22070139e+00 2.22070139e+00 stretch (0.004700) 8.31460277e+01 8.31460277e+01 Total (0.004700) 2.49804138e+03 2.49804138e+03 time=0.004800 en=2.49732145e+03 E_p=-1.63248781e+02 E_k=1.32916457e+02 E_x=0.00000000e+00 P=-9.30239578e+01 V=5.55025399e+04 (group) (0.004800) 0 total Kinetic (0.004800) 1.32916457e+02 1.32916457e+02 (pair) (0.004800) ( 0, 0) total angle (0.004800) 1.53888628e+02 1.53888628e+02 cmap (0.004800) -1.08748341e+01 -1.08748341e+01 dihedral (0.004800) 6.62285134e+01 6.62285134e+01 far_exclusion (0.004800) 2.14111629e+03 2.14111629e+03 far_terms (0.004800) 2.02926145e+02 2.02926145e+02 improper (0.004800) 1.70226013e+01 1.70226013e+01 pair_elec (0.004800) -1.60066327e+02 -1.60066327e+02 pair_vdw (0.004800) 2.18350335e+00 2.18350335e+00 stretch (0.004800) 8.48969284e+01 8.48969284e+01 Total (0.004800) 2.49732145e+03 2.49732145e+03 time=0.004900 en=2.49648970e+03 E_p=-1.64080525e+02 E_k=1.34247969e+02 E_x=0.00000000e+00 P=-1.37716050e+02 V=5.55025399e+04 (group) (0.004900) 0 total Kinetic (0.004900) 1.34247969e+02 1.34247969e+02 (pair) (0.004900) ( 0, 0) total angle (0.004900) 1.52197849e+02 1.52197849e+02 cmap (0.004900) -1.08875372e+01 -1.08875372e+01 dihedral (0.004900) 6.58555066e+01 6.58555066e+01 far_exclusion (0.004900) 2.14111661e+03 2.14111661e+03 far_terms (0.004900) 2.02804105e+02 2.02804105e+02 improper (0.004900) 1.67408046e+01 1.67408046e+01 pair_elec (0.004900) -1.59962061e+02 -1.59962061e+02 pair_vdw (0.004900) 2.14742206e+00 2.14742206e+00 stretch (0.004900) 8.64770044e+01 8.64770044e+01 Total (0.004900) 2.49648970e+03 2.49648970e+03 time=0.005000 en=2.49551128e+03 E_p=-1.65058950e+02 E_k=1.35703790e+02 E_x=0.00000000e+00 P=-1.79305563e+02 V=5.55025399e+04 (group) (0.005000) 0 total Kinetic (0.005000) 1.35703790e+02 1.35703790e+02 (pair) (0.005000) ( 0, 0) total angle (0.005000) 1.50557362e+02 1.50557362e+02 cmap (0.005000) -1.09005361e+01 -1.09005361e+01 dihedral (0.005000) 6.54809504e+01 6.54809504e+01 far_exclusion (0.005000) 2.14111574e+03 2.14111574e+03 far_terms (0.005000) 2.02685783e+02 2.02685783e+02 improper (0.005000) 1.64609023e+01 1.64609023e+01 pair_elec (0.005000) -1.59855363e+02 -1.59855363e+02 pair_vdw (0.005000) 2.11260286e+00 2.11260286e+00 stretch (0.005000) 8.78538531e+01 8.78538531e+01 Total (0.005000) 2.49551130e+03 2.49551130e+03