time=0.000000 en=3.88996583e+02 E_p=3.42191930e+02 E_k=0.00000000e+00 E_x=0.00000000e+00 P=-1.55513677e+01 V=9.79501678e+05 (group) (0.000000) 0 total Kinetic (0.000000) 0.00000000e+00 0.00000000e+00 (pair) (0.000000) ( 0, 0) total angle (0.000000) 1.41925113e+02 1.41925113e+02 cmap (0.000000) -1.72546669e+01 -1.72546669e+01 dihedral (0.000000) 7.21038279e+01 7.21038279e+01 far_exclusion (0.000000) 2.77307380e+01 2.77307380e+01 far_terms (0.000000) 5.94345655e-09 5.94345655e-09 improper (0.000000) 9.76602128e+00 9.76602128e+00 pair_elec (0.000000) 8.19282937e+01 8.19282937e+01 pair_vdw (0.000000) 3.85042012e+00 3.85042012e+00 stretch (0.000000) 6.89468021e+01 6.89468021e+01 Total (0.000000) 3.88996549e+02 3.88996549e+02 time=0.000100 en=3.88991586e+02 E_p=3.42186933e+02 E_k=6.83306983e-02 E_x=0.00000000e+00 P=-1.55492421e+01 V=9.79501678e+05 (group) (0.000100) 0 total Kinetic (0.000100) 6.83306983e-02 6.83306983e-02 (pair) (0.000100) ( 0, 0) total angle (0.000100) 1.41921013e+02 1.41921013e+02 cmap (0.000100) -1.72546669e+01 -1.72546669e+01 dihedral (0.000100) 7.21037801e+01 7.21037801e+01 far_exclusion (0.000100) 2.77307380e+01 2.77307380e+01 far_terms (0.000100) 5.94345796e-09 5.94345796e-09 improper (0.000100) 9.76602181e+00 9.76602181e+00 pair_elec (0.000100) 8.19283321e+01 8.19283321e+01 pair_vdw (0.000100) 3.85038164e+00 3.85038164e+00 stretch (0.000100) 6.89459443e+01 6.89459443e+01 Total (0.000100) 3.88991544e+02 3.88991544e+02 time=0.000200 en=3.88920927e+02 E_p=3.42116274e+02 E_k=2.73241990e-01 E_x=0.00000000e+00 P=-1.55485255e+01 V=9.79501678e+05 (group) (0.000200) 0 total Kinetic (0.000200) 2.73241990e-01 2.73241990e-01 (pair) (0.000200) ( 0, 0) total angle (0.000200) 1.41860780e+02 1.41860780e+02 cmap (0.000200) -1.72546669e+01 -1.72546669e+01 dihedral (0.000200) 7.21010502e+01 7.21010502e+01 far_exclusion (0.000200) 2.77307381e+01 2.77307381e+01 far_terms (0.000200) 5.94346789e-09 5.94346789e-09 improper (0.000200) 9.76598417e+00 9.76598417e+00 pair_elec (0.000200) 8.19298811e+01 8.19298811e+01 pair_vdw (0.000200) 3.84928395e+00 3.84928395e+00 stretch (0.000200) 6.89378157e+01 6.89378157e+01 Total (0.000200) 3.88920866e+02 3.88920866e+02 time=0.000300 en=3.88754192e+02 E_p=3.41949540e+02 E_k=6.14396650e-01 E_x=0.00000000e+00 P=-1.55555073e+01 V=9.79501678e+05 (group) (0.000300) 0 total Kinetic (0.000300) 6.14396650e-01 6.14396650e-01 (pair) (0.000300) ( 0, 0) total angle (0.000300) 1.41733599e+02 1.41733599e+02 cmap (0.000300) -1.72546669e+01 -1.72546669e+01 dihedral (0.000300) 7.20905363e+01 7.20905363e+01 far_exclusion (0.000300) 2.77307380e+01 2.77307380e+01 far_terms (0.000300) 5.94346748e-09 5.94346748e-09 improper (0.000300) 9.76505614e+00 9.76505614e+00 pair_elec (0.000300) 8.19333881e+01 8.19333881e+01 pair_vdw (0.000300) 3.84730066e+00 3.84730066e+00 stretch (0.000300) 6.89081870e+01 6.89081870e+01 Total (0.000300) 3.88754138e+02 3.88754138e+02 time=0.000400 en=3.88456908e+02 E_p=3.41652256e+02 E_k=1.09102161e+00 E_x=0.00000000e+00 P=-1.55334670e+01 V=9.79501678e+05 (group) (0.000400) 0 total Kinetic (0.000400) 1.09102161e+00 1.09102161e+00 (pair) (0.000400) ( 0, 0) total angle (0.000400) 1.41533565e+02 1.41533565e+02 cmap (0.000400) -1.72544149e+01 -1.72544149e+01 dihedral (0.000400) 7.20772144e+01 7.20772144e+01 far_exclusion (0.000400) 2.77307380e+01 2.77307380e+01 far_terms (0.000400) 5.94348454e-09 5.94348454e-09 improper (0.000400) 9.76248417e+00 9.76248417e+00 pair_elec (0.000400) 8.19370760e+01 8.19370760e+01 pair_vdw (0.000400) 3.84445776e+00 3.84445776e+00 stretch (0.000400) 6.88257319e+01 6.88257319e+01 Total (0.000400) 3.88456852e+02 3.88456852e+02 time=0.000500 en=3.88022746e+02 E_p=3.41218093e+02 E_k=1.70185680e+00 E_x=0.00000000e+00 P=-1.55245161e+01 V=9.79501678e+05 (group) (0.000500) 0 total Kinetic (0.000500) 1.70185680e+00 1.70185680e+00 (pair) (0.000500) ( 0, 0) total angle (0.000500) 1.41259132e+02 1.41259132e+02 cmap (0.000500) -1.72539044e+01 -1.72539044e+01 dihedral (0.000500) 7.20609092e+01 7.20609092e+01 far_exclusion (0.000500) 2.77307379e+01 2.77307379e+01 far_terms (0.000500) 5.94352526e-09 5.94352526e-09 improper (0.000500) 9.75715907e+00 9.75715907e+00 pair_elec (0.000500) 8.19407534e+01 8.19407534e+01 pair_vdw (0.000500) 3.84043199e+00 3.84043199e+00 stretch (0.000500) 6.86874655e+01 6.86874655e+01 Total (0.000500) 3.88022685e+02 3.88022685e+02 time=0.000600 en=3.87445618e+02 E_p=3.40640966e+02 E_k=2.44522456e+00 E_x=0.00000000e+00 P=-1.55051544e+01 V=9.79501678e+05 (group) (0.000600) 0 total Kinetic (0.000600) 2.44522456e+00 2.44522456e+00 (pair) (0.000600) ( 0, 0) total angle (0.000600) 1.40922851e+02 1.40922851e+02 cmap (0.000600) -1.72541565e+01 -1.72541565e+01 dihedral (0.000600) 7.20392240e+01 7.20392240e+01 far_exclusion (0.000600) 2.77307382e+01 2.77307382e+01 far_terms (0.000600) 5.94357167e-09 5.94357167e-09 improper (0.000600) 9.74666474e+00 9.74666474e+00 pair_elec (0.000600) 8.19449665e+01 8.19449665e+01 pair_vdw (0.000600) 3.83663580e+00 3.83663580e+00 stretch (0.000600) 6.84786536e+01 6.84786536e+01 Total (0.000600) 3.87445578e+02 3.87445578e+02 time=0.000700 en=3.86726737e+02 E_p=3.39922084e+02 E_k=3.31900391e+00 E_x=0.00000000e+00 P=-1.54807642e+01 V=9.79501678e+05 (group) (0.000700) 0 total Kinetic (0.000700) 3.31900391e+00 3.31900391e+00 (pair) (0.000700) ( 0, 0) total angle (0.000700) 1.40514240e+02 1.40514240e+02 cmap (0.000700) -1.72549086e+01 -1.72549086e+01 dihedral (0.000700) 7.20104330e+01 7.20104330e+01 far_exclusion (0.000700) 2.77307386e+01 2.77307386e+01 far_terms (0.000700) 5.94363849e-09 5.94363849e-09 improper (0.000700) 9.73384819e+00 9.73384819e+00 pair_elec (0.000700) 8.19503301e+01 8.19503301e+01 pair_vdw (0.000700) 3.83264310e+00 3.83264310e+00 stretch (0.000700) 6.82093678e+01 6.82093678e+01 Total (0.000700) 3.86726693e+02 3.86726693e+02 time=0.000800 en=3.85856600e+02 E_p=3.39051947e+02 E_k=4.32051432e+00 E_x=0.00000000e+00 P=-1.54457618e+01 V=9.79501678e+05 (group) (0.000800) 0 total Kinetic (0.000800) 4.32051432e+00 4.32051432e+00 (pair) (0.000800) ( 0, 0) total angle (0.000800) 1.40036011e+02 1.40036011e+02 cmap (0.000800) -1.72558785e+01 -1.72558785e+01 dihedral (0.000800) 7.19758759e+01 7.19758759e+01 far_exclusion (0.000800) 2.77307383e+01 2.77307383e+01 far_terms (0.000800) 5.94371510e-09 5.94371510e-09 improper (0.000800) 9.71804884e+00 9.71804884e+00 pair_elec (0.000800) 8.19531190e+01 8.19531190e+01 pair_vdw (0.000800) 3.82822740e+00 3.82822740e+00 stretch (0.000800) 6.78704266e+01 6.78704266e+01 Total (0.000800) 3.85856569e+02 3.85856569e+02 time=0.000900 en=3.84871186e+02 E_p=3.38066534e+02 E_k=5.44665228e+00 E_x=0.00000000e+00 P=-1.53953799e+01 V=9.79501678e+05 (group) (0.000900) 0 total Kinetic (0.000900) 5.44665228e+00 5.44665228e+00 (pair) (0.000900) ( 0, 0) total angle (0.000900) 1.39497233e+02 1.39497233e+02 cmap (0.000900) -1.72575759e+01 -1.72575759e+01 dihedral (0.000900) 7.19365506e+01 7.19365506e+01 far_exclusion (0.000900) 2.77307379e+01 2.77307379e+01 far_terms (0.000900) 5.94379715e-09 5.94379715e-09 improper (0.000900) 9.69606476e+00 9.69606476e+00 pair_elec (0.000900) 8.19563522e+01 8.19563522e+01 pair_vdw (0.000900) 3.82301900e+00 3.82301900e+00 stretch (0.000900) 6.74887634e+01 6.74887634e+01 Total (0.000900) 3.84871145e+02 3.84871145e+02 time=0.001000 en=3.83774694e+02 E_p=3.36970042e+02 E_k=6.69419639e+00 E_x=0.00000000e+00 P=-1.53345905e+01 V=9.79501678e+05 (group) (0.001000) 0 total Kinetic (0.001000) 6.69419639e+00 6.69419639e+00 (pair) (0.001000) ( 0, 0) total angle (0.001000) 1.38889268e+02 1.38889268e+02 cmap (0.001000) -1.72592060e+01 -1.72592060e+01 dihedral (0.001000) 7.18918047e+01 7.18918047e+01 far_exclusion (0.001000) 2.77307378e+01 2.77307378e+01 far_terms (0.001000) 5.94387080e-09 5.94387080e-09 improper (0.001000) 9.67058598e+00 9.67058598e+00 pair_elec (0.001000) 8.19635926e+01 8.19635926e+01 pair_vdw (0.001000) 3.81686258e+00 3.81686258e+00 stretch (0.001000) 6.70709836e+01 6.70709836e+01 Total (0.001000) 3.83774629e+02 3.83774629e+02 time=0.001100 en=3.82541477e+02 E_p=3.35736825e+02 E_k=8.05940508e+00 E_x=0.00000000e+00 P=-1.52624913e+01 V=9.79501678e+05 (group) (0.001100) 0 total Kinetic (0.001100) 8.05940508e+00 8.05940508e+00 (pair) (0.001100) ( 0, 0) total angle (0.001100) 1.38201531e+02 1.38201531e+02 cmap (0.001100) -1.72619355e+01 -1.72619355e+01 dihedral (0.001100) 7.18416166e+01 7.18416166e+01 far_exclusion (0.001100) 2.77307384e+01 2.77307384e+01 far_terms (0.001100) 5.94397334e-09 5.94397334e-09 improper (0.001100) 9.64035103e+00 9.64035103e+00 pair_elec (0.001100) 8.19729127e+01 8.19729127e+01 pair_vdw (0.001100) 3.80996381e+00 3.80996381e+00 stretch (0.001100) 6.66062578e+01 6.66062578e+01 Total (0.001100) 3.82541435e+02 3.82541435e+02 time=0.001200 en=3.81198224e+02 E_p=3.34393572e+02 E_k=9.53810756e+00 E_x=0.00000000e+00 P=-1.52639687e+01 V=9.79501678e+05 (group) (0.001200) 0 total Kinetic (0.001200) 9.53810756e+00 9.53810756e+00 (pair) (0.001200) ( 0, 0) total angle (0.001200) 1.37452755e+02 1.37452755e+02 cmap (0.001200) -1.72654207e+01 -1.72654207e+01 dihedral (0.001200) 7.17844094e+01 7.17844094e+01 far_exclusion (0.001200) 2.77307377e+01 2.77307377e+01 far_terms (0.001200) 5.94411215e-09 5.94411215e-09 improper (0.001200) 9.60117079e+00 9.60117079e+00 pair_elec (0.001200) 8.19814405e+01 8.19814405e+01 pair_vdw (0.001200) 3.80253988e+00 3.80253988e+00 stretch (0.001200) 6.61105310e+01 6.61105310e+01 Total (0.001200) 3.81198163e+02 3.81198163e+02 time=0.001300 en=3.79750539e+02 E_p=3.32945886e+02 E_k=1.11260494e+01 E_x=0.00000000e+00 P=-1.51846254e+01 V=9.79501678e+05 (group) (0.001300) 0 total Kinetic (0.001300) 1.11260494e+01 1.11260494e+01 (pair) (0.001300) ( 0, 0) total angle (0.001300) 1.36646359e+02 1.36646359e+02 cmap (0.001300) -1.72696563e+01 -1.72696563e+01 dihedral (0.001300) 7.17235778e+01 7.17235778e+01 far_exclusion (0.001300) 2.77307376e+01 2.77307376e+01 far_terms (0.001300) 5.94425923e-09 5.94425923e-09 improper (0.001300) 9.55625332e+00 9.55625332e+00 pair_elec (0.001300) 8.19906654e+01 8.19906654e+01 pair_vdw (0.001300) 3.79354579e+00 3.79354579e+00 stretch (0.001300) 6.55789750e+01 6.55789750e+01 Total (0.001300) 3.79750458e+02 3.79750458e+02 time=0.001400 en=3.78224391e+02 E_p=3.31419738e+02 E_k=1.28187369e+01 E_x=0.00000000e+00 P=-1.51041270e+01 V=9.79501678e+05 (group) (0.001400) 0 total Kinetic (0.001400) 1.28187369e+01 1.28187369e+01 (pair) (0.001400) ( 0, 0) total angle (0.001400) 1.35791987e+02 1.35791987e+02 cmap (0.001400) -1.72741303e+01 -1.72741303e+01 dihedral (0.001400) 7.16578582e+01 7.16578582e+01 far_exclusion (0.001400) 2.77307377e+01 2.77307377e+01 far_terms (0.001400) 5.94441733e-09 5.94441733e-09 improper (0.001400) 9.51124874e+00 9.51124874e+00 pair_elec (0.001400) 8.20011054e+01 8.20011054e+01 pair_vdw (0.001400) 3.78448997e+00 3.78448997e+00 stretch (0.001400) 6.50210346e+01 6.50210346e+01 Total (0.001400) 3.78224331e+02 3.78224331e+02 time=0.001500 en=3.76608531e+02 E_p=3.29803878e+02 E_k=1.46115087e+01 E_x=0.00000000e+00 P=-1.50366116e+01 V=9.79501678e+05 (group) (0.001500) 0 total Kinetic (0.001500) 1.46115087e+01 1.46115087e+01 (pair) (0.001500) ( 0, 0) total angle (0.001500) 1.34886523e+02 1.34886523e+02 cmap (0.001500) -1.72785896e+01 -1.72785896e+01 dihedral (0.001500) 7.15873210e+01 7.15873210e+01 far_exclusion (0.001500) 2.77307376e+01 2.77307376e+01 far_terms (0.001500) 5.94461014e-09 5.94461014e-09 improper (0.001500) 9.46516500e+00 9.46516500e+00 pair_elec (0.001500) 8.20126298e+01 8.20126298e+01 pair_vdw (0.001500) 3.77570755e+00 3.77570755e+00 stretch (0.001500) 6.44289857e+01 6.44289857e+01 Total (0.001500) 3.76608480e+02 3.76608480e+02 time=0.001600 en=3.74909837e+02 E_p=3.28105184e+02 E_k=1.64993947e+01 E_x=0.00000000e+00 P=-1.50107991e+01 V=9.79501678e+05 (group) (0.001600) 0 total Kinetic (0.001600) 1.64993947e+01 1.64993947e+01 (pair) (0.001600) ( 0, 0) total angle (0.001600) 1.33941129e+02 1.33941129e+02 cmap (0.001600) -1.72837937e+01 -1.72837937e+01 dihedral (0.001600) 7.15123219e+01 7.15123219e+01 far_exclusion (0.001600) 2.77307374e+01 2.77307374e+01 far_terms (0.001600) 5.94479973e-09 5.94479973e-09 improper (0.001600) 9.41580685e+00 9.41580685e+00 pair_elec (0.001600) 8.20256321e+01 8.20256321e+01 pair_vdw (0.001600) 3.76577029e+00 3.76577029e+00 stretch (0.001600) 6.38021680e+01 6.38021680e+01 Total (0.001600) 3.74909771e+02 3.74909771e+02 time=0.001700 en=3.73122590e+02 E_p=3.26317938e+02 E_k=1.84773211e+01 E_x=0.00000000e+00 P=-1.49048751e+01 V=9.79501678e+05 (group) (0.001700) 0 total Kinetic (0.001700) 1.84773211e+01 1.84773211e+01 (pair) (0.001700) ( 0, 0) total angle (0.001700) 1.32946964e+02 1.32946964e+02 cmap (0.001700) -1.72904397e+01 -1.72904397e+01 dihedral (0.001700) 7.14325505e+01 7.14325505e+01 far_exclusion (0.001700) 2.77307372e+01 2.77307372e+01 far_terms (0.001700) 5.94499371e-09 5.94499371e-09 improper (0.001700) 9.36455847e+00 9.36455847e+00 pair_elec (0.001700) 8.20367382e+01 8.20367382e+01 pair_vdw (0.001700) 3.75480483e+00 3.75480483e+00 stretch (0.001700) 6.31466258e+01 6.31466258e+01 Total (0.001700) 3.73122539e+02 3.73122539e+02 time=0.001800 en=3.71253558e+02 E_p=3.24448905e+02 E_k=2.05396349e+01 E_x=0.00000000e+00 P=-1.48376531e+01 V=9.79501678e+05 (group) (0.001800) 0 total Kinetic (0.001800) 2.05396349e+01 2.05396349e+01 (pair) (0.001800) ( 0, 0) total angle (0.001800) 1.31898080e+02 1.31898080e+02 cmap (0.001800) -1.72966592e+01 -1.72966592e+01 dihedral (0.001800) 7.13499163e+01 7.13499163e+01 far_exclusion (0.001800) 2.77307371e+01 2.77307371e+01 far_terms (0.001800) 5.94520815e-09 5.94520815e-09 improper (0.001800) 9.31072449e+00 9.31072449e+00 pair_elec (0.001800) 8.20467755e+01 8.20467755e+01 pair_vdw (0.001800) 3.74311302e+00 3.74311302e+00 stretch (0.001800) 6.24707913e+01 6.24707913e+01 Total (0.001800) 3.71253479e+02 3.71253479e+02 time=0.001900 en=3.69322530e+02 E_p=3.22517878e+02 E_k=2.26807763e+01 E_x=0.00000000e+00 P=-1.47324007e+01 V=9.79501678e+05 (group) (0.001900) 0 total Kinetic (0.001900) 2.26807763e+01 2.26807763e+01 (pair) (0.001900) ( 0, 0) total angle (0.001900) 1.30806145e+02 1.30806145e+02 cmap (0.001900) -1.73029651e+01 -1.73029651e+01 dihedral (0.001900) 7.12632583e+01 7.12632583e+01 far_exclusion (0.001900) 2.77307371e+01 2.77307371e+01 far_terms (0.001900) 5.94543790e-09 5.94543790e-09 improper (0.001900) 9.25616755e+00 9.25616755e+00 pair_elec (0.001900) 8.20571575e+01 8.20571575e+01 pair_vdw (0.001900) 3.73238804e+00 3.73238804e+00 stretch (0.001900) 6.17795541e+01 6.17795541e+01 Total (0.001900) 3.69322443e+02 3.69322443e+02 time=0.002000 en=3.67341330e+02 E_p=3.20536678e+02 E_k=2.48951696e+01 E_x=0.00000000e+00 P=-1.46989267e+01 V=9.79501678e+05 (group) (0.002000) 0 total Kinetic (0.002000) 2.48951696e+01 2.48951696e+01 (pair) (0.002000) ( 0, 0) total angle (0.002000) 1.29687163e+02 1.29687163e+02 cmap (0.002000) -1.73095186e+01 -1.73095186e+01 dihedral (0.002000) 7.11715992e+01 7.11715992e+01 far_exclusion (0.002000) 2.77307366e+01 2.77307366e+01 far_terms (0.002000) 5.94567525e-09 5.94567525e-09 improper (0.002000) 9.20019155e+00 9.20019155e+00 pair_elec (0.002000) 8.20669312e+01 8.20669312e+01 pair_vdw (0.002000) 3.72164609e+00 3.72164609e+00 stretch (0.002000) 6.10725268e+01 6.10725268e+01 Total (0.002000) 3.67341276e+02 3.67341276e+02 time=0.002100 en=3.65291478e+02 E_p=3.18486826e+02 E_k=2.71767513e+01 E_x=0.00000000e+00 P=-1.47384657e+01 V=9.79501678e+05 (group) (0.002100) 0 total Kinetic (0.002100) 2.71767513e+01 2.71767513e+01 (pair) (0.002100) ( 0, 0) total angle (0.002100) 1.28526462e+02 1.28526462e+02 cmap (0.002100) -1.73163404e+01 -1.73163404e+01 dihedral (0.002100) 7.10756316e+01 7.10756316e+01 far_exclusion (0.002100) 2.77307365e+01 2.77307365e+01 far_terms (0.002100) 5.94591364e-09 5.94591364e-09 improper (0.002100) 9.14104007e+00 9.14104007e+00 pair_elec (0.002100) 8.20776970e+01 8.20776970e+01 pair_vdw (0.002100) 3.71017633e+00 3.71017633e+00 stretch (0.002100) 6.03460200e+01 6.03460200e+01 Total (0.002100) 3.65291423e+02 3.65291423e+02 time=0.002200 en=3.63186389e+02 E_p=3.16381736e+02 E_k=2.95196044e+01 E_x=0.00000000e+00 P=-1.46234210e+01 V=9.79501678e+05 (group) (0.002200) 0 total Kinetic (0.002200) 2.95196044e+01 2.95196044e+01 (pair) (0.002200) ( 0, 0) total angle (0.002200) 1.27331851e+02 1.27331851e+02 cmap (0.002200) -1.73230157e+01 -1.73230157e+01 dihedral (0.002200) 7.09746865e+01 7.09746865e+01 far_exclusion (0.002200) 2.77307369e+01 2.77307369e+01 far_terms (0.002200) 5.94618178e-09 5.94618178e-09 improper (0.002200) 9.08147036e+00 9.08147036e+00 pair_elec (0.002200) 8.20881845e+01 8.20881845e+01 pair_vdw (0.002200) 3.69799483e+00 3.69799483e+00 stretch (0.002200) 5.96044245e+01 5.96044245e+01 Total (0.002200) 3.63186333e+02 3.63186333e+02 time=0.002300 en=3.61042615e+02 E_p=3.14237962e+02 E_k=3.19180838e+01 E_x=0.00000000e+00 P=-1.45059719e+01 V=9.79501678e+05 (group) (0.002300) 0 total Kinetic (0.002300) 3.19180838e+01 3.19180838e+01 (pair) (0.002300) ( 0, 0) total angle (0.002300) 1.26108862e+02 1.26108862e+02 cmap (0.002300) -1.73295431e+01 -1.73295431e+01 dihedral (0.002300) 7.08710671e+01 7.08710671e+01 far_exclusion (0.002300) 2.77307367e+01 2.77307367e+01 far_terms (0.002300) 5.94645291e-09 5.94645291e-09 improper (0.002300) 9.02279577e+00 9.02279577e+00 pair_elec (0.002300) 8.20995000e+01 8.20995000e+01 pair_vdw (0.002300) 3.68493297e+00 3.68493297e+00 stretch (0.002300) 5.88542073e+01 5.88542073e+01 Total (0.002300) 3.61042559e+02 3.61042559e+02 time=0.002400 en=3.58834252e+02 E_p=3.12029600e+02 E_k=3.43660922e+01 E_x=0.00000000e+00 P=-1.43586118e+01 V=9.79501678e+05 (group) (0.002400) 0 total Kinetic (0.002400) 3.43660922e+01 3.43660922e+01 (pair) (0.002400) ( 0, 0) total angle (0.002400) 1.24859154e+02 1.24859154e+02 cmap (0.002400) -1.73355892e+01 -1.73355892e+01 dihedral (0.002400) 7.07629443e+01 7.07629443e+01 far_exclusion (0.002400) 2.77307362e+01 2.77307362e+01 far_terms (0.002400) 5.94671796e-09 5.94671796e-09 improper (0.002400) 8.95884558e+00 8.95884558e+00 pair_elec (0.002400) 8.21078914e+01 8.21078914e+01 pair_vdw (0.002400) 3.67077557e+00 3.67077557e+00 stretch (0.002400) 5.80794542e+01 5.80794542e+01 Total (0.002400) 3.58834213e+02 3.58834213e+02 time=0.002500 en=3.56586243e+02 E_p=3.09781590e+02 E_k=3.68573912e+01 E_x=0.00000000e+00 P=-1.42538240e+01 V=9.79501678e+05 (group) (0.002500) 0 total Kinetic (0.002500) 3.68573912e+01 3.68573912e+01 (pair) (0.002500) ( 0, 0) total angle (0.002500) 1.23582839e+02 1.23582839e+02 cmap (0.002500) -1.73414225e+01 -1.73414225e+01 dihedral (0.002500) 7.06508178e+01 7.06508178e+01 far_exclusion (0.002500) 2.77307364e+01 2.77307364e+01 far_terms (0.002500) 5.94696530e-09 5.94696530e-09 improper (0.002500) 8.89314597e+00 8.89314597e+00 pair_elec (0.002500) 8.21165553e+01 8.21165553e+01 pair_vdw (0.002500) 3.65542184e+00 3.65542184e+00 stretch (0.002500) 5.72980967e+01 5.72980967e+01 Total (0.002500) 3.56586190e+02 3.56586190e+02 time=0.002600 en=3.54305310e+02 E_p=3.07500657e+02 E_k=3.93861036e+01 E_x=0.00000000e+00 P=-1.41541317e+01 V=9.79501678e+05 (group) (0.002600) 0 total Kinetic (0.002600) 3.93861036e+01 3.93861036e+01 (pair) (0.002600) ( 0, 0) total angle (0.002600) 1.22289518e+02 1.22289518e+02 cmap (0.002600) -1.73477318e+01 -1.73477318e+01 dihedral (0.002600) 7.05342545e+01 7.05342545e+01 far_exclusion (0.002600) 2.77307369e+01 2.77307369e+01 far_terms (0.002600) 5.94722616e-09 5.94722616e-09 improper (0.002600) 8.82529068e+00 8.82529068e+00 pair_elec (0.002600) 8.21254500e+01 8.21254500e+01 pair_vdw (0.002600) 3.63935961e+00 3.63935961e+00 stretch (0.002600) 5.65083698e+01 5.65083698e+01 Total (0.002600) 3.54305247e+02 3.54305247e+02 time=0.002700 en=3.51997630e+02 E_p=3.05192978e+02 E_k=4.19463729e+01 E_x=0.00000000e+00 P=-1.40441341e+01 V=9.79501678e+05 (group) (0.002700) 0 total Kinetic (0.002700) 4.19463729e+01 4.19463729e+01 (pair) (0.002700) ( 0, 0) total angle (0.002700) 1.20986748e+02 1.20986748e+02 cmap (0.002700) -1.73552042e+01 -1.73552042e+01 dihedral (0.002700) 7.04156374e+01 7.04156374e+01 far_exclusion (0.002700) 2.77307372e+01 2.77307372e+01 far_terms (0.002700) 5.94749795e-09 5.94749795e-09 improper (0.002700) 8.75180430e+00 8.75180430e+00 pair_elec (0.002700) 8.21334622e+01 8.21334622e+01 pair_vdw (0.002700) 3.62317476e+00 3.62317476e+00 stretch (0.002700) 5.57112509e+01 5.57112509e+01 Total (0.002700) 3.51997610e+02 3.51997610e+02 time=0.002800 en=3.49655800e+02 E_p=3.02851148e+02 E_k=4.45321068e+01 E_x=0.00000000e+00 P=-1.39308089e+01 V=9.79501678e+05 (group) (0.002800) 0 total Kinetic (0.002800) 4.45321068e+01 4.45321068e+01 (pair) (0.002800) ( 0, 0) total angle (0.002800) 1.19660780e+02 1.19660780e+02 cmap (0.002800) -1.73632825e+01 -1.73632825e+01 dihedral (0.002800) 7.02957395e+01 7.02957395e+01 far_exclusion (0.002800) 2.77307372e+01 2.77307372e+01 far_terms (0.002800) 5.94775898e-09 5.94775898e-09 improper (0.002800) 8.67913897e+00 8.67913897e+00 pair_elec (0.002800) 8.21408649e+01 8.21408649e+01 pair_vdw (0.002800) 3.60687637e+00 3.60687637e+00 stretch (0.002800) 5.49049184e+01 5.49049184e+01 Total (0.002800) 3.49655773e+02 3.49655773e+02 time=0.002900 en=3.47299014e+02 E_p=3.00494361e+02 E_k=4.71374736e+01 E_x=0.00000000e+00 P=-1.38702133e+01 V=9.79501678e+05 (group) (0.002900) 0 total Kinetic (0.002900) 4.71374736e+01 4.71374736e+01 (pair) (0.002900) ( 0, 0) total angle (0.002900) 1.18323661e+02 1.18323661e+02 cmap (0.002900) -1.73714693e+01 -1.73714693e+01 dihedral (0.002900) 7.01729253e+01 7.01729253e+01 far_exclusion (0.002900) 2.77307371e+01 2.77307371e+01 far_terms (0.002900) 5.94799784e-09 5.94799784e-09 improper (0.002900) 8.60400367e+00 8.60400367e+00 pair_elec (0.002900) 8.21485181e+01 8.21485181e+01 pair_vdw (0.002900) 3.59166306e+00 3.59166306e+00 stretch (0.002900) 5.40989319e+01 5.40989319e+01 Total (0.002900) 3.47298971e+02 3.47298971e+02 time=0.003000 en=3.44931708e+02 E_p=2.98127056e+02 E_k=4.97568906e+01 E_x=0.00000000e+00 P=-1.39153747e+01 V=9.79501678e+05 (group) (0.003000) 0 total Kinetic (0.003000) 4.97568906e+01 4.97568906e+01 (pair) (0.003000) ( 0, 0) total angle (0.003000) 1.16983091e+02 1.16983091e+02 cmap (0.003000) -1.73794427e+01 -1.73794427e+01 dihedral (0.003000) 7.00476955e+01 7.00476955e+01 far_exclusion (0.003000) 2.77307365e+01 2.77307365e+01 far_terms (0.003000) 5.94826863e-09 5.94826863e-09 improper (0.003000) 8.52584701e+00 8.52584701e+00 pair_elec (0.003000) 8.21543834e+01 8.21543834e+01 pair_vdw (0.003000) 3.57625994e+00 3.57625994e+00 stretch (0.003000) 5.32930812e+01 5.32930812e+01 Total (0.003000) 3.44931652e+02 3.44931652e+02 time=0.003100 en=3.42570617e+02 E_p=2.95765964e+02 E_k=5.23846370e+01 E_x=0.00000000e+00 P=-1.37863763e+01 V=9.79501678e+05 (group) (0.003100) 0 total Kinetic (0.003100) 5.23846370e+01 5.23846370e+01 (pair) (0.003100) ( 0, 0) total angle (0.003100) 1.15638594e+02 1.15638594e+02 cmap (0.003100) -1.73874776e+01 -1.73874776e+01 dihedral (0.003100) 6.99201150e+01 6.99201150e+01 far_exclusion (0.003100) 2.77307361e+01 2.77307361e+01 far_terms (0.003100) 5.94853658e-09 5.94853658e-09 improper (0.003100) 8.44628753e+00 8.44628753e+00 pair_elec (0.003100) 8.21626048e+01 8.21626048e+01 pair_vdw (0.003100) 3.56103137e+00 3.56103137e+00 stretch (0.003100) 5.24986648e+01 5.24986648e+01 Total (0.003100) 3.42570556e+02 3.42570556e+02 time=0.003200 en=3.40226945e+02 E_p=2.93422293e+02 E_k=5.50151975e+01 E_x=0.00000000e+00 P=-1.36792293e+01 V=9.79501678e+05 (group) (0.003200) 0 total Kinetic (0.003200) 5.50151975e+01 5.50151975e+01 (pair) (0.003200) ( 0, 0) total angle (0.003200) 1.14297592e+02 1.14297592e+02 cmap (0.003200) -1.73957747e+01 -1.73957747e+01 dihedral (0.003200) 6.97911025e+01 6.97911025e+01 far_exclusion (0.003200) 2.77307361e+01 2.77307361e+01 far_terms (0.003200) 5.94881747e-09 5.94881747e-09 improper (0.003200) 8.36477763e+00 8.36477763e+00 pair_elec (0.003200) 8.21746598e+01 8.21746598e+01 pair_vdw (0.003200) 3.54563144e+00 3.54563144e+00 stretch (0.003200) 5.17181719e+01 5.17181719e+01 Total (0.003200) 3.40226897e+02 3.40226897e+02 time=0.003300 en=3.37887123e+02 E_p=2.91082470e+02 E_k=5.76429441e+01 E_x=0.00000000e+00 P=-1.37504635e+01 V=9.79501678e+05 (group) (0.003300) 0 total Kinetic (0.003300) 5.76429441e+01 5.76429441e+01 (pair) (0.003300) ( 0, 0) total angle (0.003300) 1.12962209e+02 1.12962209e+02 cmap (0.003300) -1.74041745e+01 -1.74041745e+01 dihedral (0.003300) 6.96606549e+01 6.96606549e+01 far_exclusion (0.003300) 2.77307360e+01 2.77307360e+01 far_terms (0.003300) 5.94914889e-09 5.94914889e-09 improper (0.003300) 8.28205526e+00 8.28205526e+00 pair_elec (0.003300) 8.21878977e+01 8.21878977e+01 pair_vdw (0.003300) 3.53004966e+00 3.53004966e+00 stretch (0.003300) 5.09376357e+01 5.09376357e+01 Total (0.003300) 3.37887063e+02 3.37887063e+02 time=0.003400 en=3.35553809e+02 E_p=2.88749156e+02 E_k=6.02626533e+01 E_x=0.00000000e+00 P=-1.36224697e+01 V=9.79501678e+05 (group) (0.003400) 0 total Kinetic (0.003400) 6.02626533e+01 6.02626533e+01 (pair) (0.003400) ( 0, 0) total angle (0.003400) 1.11635516e+02 1.11635516e+02 cmap (0.003400) -1.74123342e+01 -1.74123342e+01 dihedral (0.003400) 6.95262798e+01 6.95262798e+01 far_exclusion (0.003400) 2.77307364e+01 2.77307364e+01 far_terms (0.003400) 5.94951637e-09 5.94951637e-09 improper (0.003400) 8.19821737e+00 8.19821737e+00 pair_elec (0.003400) 8.22028851e+01 8.22028851e+01 pair_vdw (0.003400) 3.51456966e+00 3.51456966e+00 stretch (0.003400) 5.01578853e+01 5.01578853e+01 Total (0.003400) 3.35553755e+02 3.35553755e+02 time=0.003500 en=3.33235901e+02 E_p=2.86431248e+02 E_k=6.28701202e+01 E_x=0.00000000e+00 P=-1.33419321e+01 V=9.79501678e+05 (group) (0.003500) 0 total Kinetic (0.003500) 6.28701202e+01 6.28701202e+01 (pair) (0.003500) ( 0, 0) total angle (0.003500) 1.10317743e+02 1.10317743e+02 cmap (0.003500) -1.74211964e+01 -1.74211964e+01 dihedral (0.003500) 6.93908962e+01 6.93908962e+01 far_exclusion (0.003500) 2.77307370e+01 2.77307370e+01 far_terms (0.003500) 5.94986782e-09 5.94986782e-09 improper (0.003500) 8.11238997e+00 8.11238997e+00 pair_elec (0.003500) 8.22152697e+01 8.22152697e+01 pair_vdw (0.003500) 3.49963909e+00 3.49963909e+00 stretch (0.003500) 4.93903725e+01 4.93903725e+01 Total (0.003500) 3.33235851e+02 3.33235851e+02 time=0.003600 en=3.30924802e+02 E_p=2.84120150e+02 E_k=6.54598700e+01 E_x=0.00000000e+00 P=-1.32857527e+01 V=9.79501678e+05 (group) (0.003600) 0 total Kinetic (0.003600) 6.54598700e+01 6.54598700e+01 (pair) (0.003600) ( 0, 0) total angle (0.003600) 1.09008220e+02 1.09008220e+02 cmap (0.003600) -1.74307832e+01 -1.74307832e+01 dihedral (0.003600) 6.92535256e+01 6.92535256e+01 far_exclusion (0.003600) 2.77307368e+01 2.77307368e+01 far_terms (0.003600) 5.95026804e-09 5.95026804e-09 improper (0.003600) 8.02445848e+00 8.02445848e+00 pair_elec (0.003600) 8.22291756e+01 8.22291756e+01 pair_vdw (0.003600) 3.48520835e+00 3.48520835e+00 stretch (0.003600) 4.86242126e+01 4.86242126e+01 Total (0.003600) 3.30924754e+02 3.30924754e+02 time=0.003700 en=3.28632314e+02 E_p=2.81827661e+02 E_k=6.80264690e+01 E_x=0.00000000e+00 P=-1.32246877e+01 V=9.79501678e+05 (group) (0.003700) 0 total Kinetic (0.003700) 6.80264690e+01 6.80264690e+01 (pair) (0.003700) ( 0, 0) total angle (0.003700) 1.07712905e+02 1.07712905e+02 cmap (0.003700) -1.74403967e+01 -1.74403967e+01 dihedral (0.003700) 6.91115399e+01 6.91115399e+01 far_exclusion (0.003700) 2.77307365e+01 2.77307365e+01 far_terms (0.003700) 5.95067921e-09 5.95067921e-09 improper (0.003700) 7.93529159e+00 7.93529159e+00 pair_elec (0.003700) 8.22461119e+01 8.22461119e+01 pair_vdw (0.003700) 3.47055281e+00 3.47055281e+00 stretch (0.003700) 4.78655261e+01 4.78655261e+01 Total (0.003700) 3.28632267e+02 3.28632267e+02 time=0.003800 en=3.26367096e+02 E_p=2.79562443e+02 E_k=7.05653369e+01 E_x=0.00000000e+00 P=-1.31248283e+01 V=9.79501678e+05 (group) (0.003800) 0 total Kinetic (0.003800) 7.05653369e+01 7.05653369e+01 (pair) (0.003800) ( 0, 0) total angle (0.003800) 1.06439629e+02 1.06439629e+02 cmap (0.003800) -1.74507797e+01 -1.74507797e+01 dihedral (0.003800) 6.89694504e+01 6.89694504e+01 far_exclusion (0.003800) 2.77307369e+01 2.77307369e+01 far_terms (0.003800) 5.95107823e-09 5.95107823e-09 improper (0.003800) 7.84234956e+00 7.84234956e+00 pair_elec (0.003800) 8.22612658e+01 8.22612658e+01 pair_vdw (0.003800) 3.45559675e+00 3.45559675e+00 stretch (0.003800) 4.71187745e+01 4.71187745e+01 Total (0.003800) 3.26367023e+02 3.26367023e+02 time=0.003900 en=3.24122958e+02 E_p=2.77318305e+02 E_k=7.30714390e+01 E_x=0.00000000e+00 P=-1.30274819e+01 V=9.79501678e+05 (group) (0.003900) 0 total Kinetic (0.003900) 7.30714390e+01 7.30714390e+01 (pair) (0.003900) ( 0, 0) total angle (0.003900) 1.05182298e+02 1.05182298e+02 cmap (0.003900) -1.74610342e+01 -1.74610342e+01 dihedral (0.003900) 6.88256304e+01 6.88256304e+01 far_exclusion (0.003900) 2.77307365e+01 2.77307365e+01 far_terms (0.003900) 5.95150581e-09 5.95150581e-09 improper (0.003900) 7.74715524e+00 7.74715524e+00 pair_elec (0.003900) 8.22749033e+01 8.22749033e+01 pair_vdw (0.003900) 3.44075462e+00 3.44075462e+00 stretch (0.003900) 4.63824569e+01 4.63824569e+01 Total (0.003900) 3.24122901e+02 3.24122901e+02 time=0.004000 en=3.21913476e+02 E_p=2.75108823e+02 E_k=7.55402340e+01 E_x=0.00000000e+00 P=-1.29558502e+01 V=9.79501678e+05 (group) (0.004000) 0 total Kinetic (0.004000) 7.55402340e+01 7.55402340e+01 (pair) (0.004000) ( 0, 0) total angle (0.004000) 1.03946049e+02 1.03946049e+02 cmap (0.004000) -1.74715295e+01 -1.74715295e+01 dihedral (0.004000) 6.86804581e+01 6.86804581e+01 far_exclusion (0.004000) 2.77307370e+01 2.77307370e+01 far_terms (0.004000) 5.95191599e-09 5.95191599e-09 improper (0.004000) 7.65099749e+00 7.65099749e+00 pair_elec (0.004000) 8.22892327e+01 8.22892327e+01 pair_vdw (0.004000) 3.42625399e+00 3.42625399e+00 stretch (0.004000) 4.56612113e+01 4.56612113e+01 Total (0.004000) 3.21913410e+02 3.21913410e+02 time=0.004100 en=3.19741814e+02 E_p=2.72937162e+02 E_k=7.79670919e+01 E_x=0.00000000e+00 P=-1.29100589e+01 V=9.79501678e+05 (group) (0.004100) 0 total Kinetic (0.004100) 7.79670919e+01 7.79670919e+01 (pair) (0.004100) ( 0, 0) total angle (0.004100) 1.02741947e+02 1.02741947e+02 cmap (0.004100) -1.74822223e+01 -1.74822223e+01 dihedral (0.004100) 6.85340748e+01 6.85340748e+01 far_exclusion (0.004100) 2.77307369e+01 2.77307369e+01 far_terms (0.004100) 5.95234088e-09 5.95234088e-09 improper (0.004100) 7.55293150e+00 7.55293150e+00 pair_elec (0.004100) 8.23008673e+01 8.23008673e+01 pair_vdw (0.004100) 3.41150278e+00 3.41150278e+00 stretch (0.004100) 4.49519201e+01 4.49519201e+01 Total (0.004100) 3.19741758e+02 3.19741758e+02 time=0.004200 en=3.17623045e+02 E_p=2.70818392e+02 E_k=8.03481892e+01 E_x=0.00000000e+00 P=-1.27332458e+01 V=9.79501678e+05 (group) (0.004200) 0 total Kinetic (0.004200) 8.03481892e+01 8.03481892e+01 (pair) (0.004200) ( 0, 0) total angle (0.004200) 1.01570761e+02 1.01570761e+02 cmap (0.004200) -1.74932623e+01 -1.74932623e+01 dihedral (0.004200) 6.83872896e+01 6.83872896e+01 far_exclusion (0.004200) 2.77307363e+01 2.77307363e+01 far_terms (0.004200) 5.95279778e-09 5.95279778e-09 improper (0.004200) 7.45471179e+00 7.45471179e+00 pair_elec (0.004200) 8.23134614e+01 8.23134614e+01 pair_vdw (0.004200) 3.39658519e+00 3.39658519e+00 stretch (0.004200) 4.42627206e+01 4.42627206e+01 Total (0.004200) 3.17623004e+02 3.17623004e+02 time=0.004300 en=3.15552179e+02 E_p=2.68747526e+02 E_k=8.26797281e+01 E_x=0.00000000e+00 P=-1.26546476e+01 V=9.79501678e+05 (group) (0.004300) 0 total Kinetic (0.004300) 8.26797281e+01 8.26797281e+01 (pair) (0.004300) ( 0, 0) total angle (0.004300) 1.00435454e+02 1.00435454e+02 cmap (0.004300) -1.75042201e+01 -1.75042201e+01 dihedral (0.004300) 6.82403544e+01 6.82403544e+01 far_exclusion (0.004300) 2.77307363e+01 2.77307363e+01 far_terms (0.004300) 5.95323777e-09 5.95323777e-09 improper (0.004300) 7.35599842e+00 7.35599842e+00 pair_elec (0.004300) 8.23262693e+01 8.23262693e+01 pair_vdw (0.004300) 3.38211608e+00 3.38211608e+00 stretch (0.004300) 4.35854075e+01 4.35854075e+01 Total (0.004300) 3.15552116e+02 3.15552116e+02 time=0.004400 en=3.13526819e+02 E_p=2.66722166e+02 E_k=8.49575464e+01 E_x=0.00000000e+00 P=-1.26108441e+01 V=9.79501678e+05 (group) (0.004400) 0 total Kinetic (0.004400) 8.49575464e+01 8.49575464e+01 (pair) (0.004400) ( 0, 0) total angle (0.004400) 9.93411078e+01 9.93411078e+01 cmap (0.004400) -1.75151097e+01 -1.75151097e+01 dihedral (0.004400) 6.80924017e+01 6.80924017e+01 far_exclusion (0.004400) 2.77307357e+01 2.77307357e+01 far_terms (0.004400) 5.95370424e-09 5.95370424e-09 improper (0.004400) 7.25716671e+00 7.25716671e+00 pair_elec (0.004400) 8.23391220e+01 8.23391220e+01 pair_vdw (0.004400) 3.36812711e+00 3.36812711e+00 stretch (0.004400) 4.29132169e+01 4.29132169e+01 Total (0.004400) 3.13526768e+02 3.13526768e+02 time=0.004500 en=3.11546578e+02 E_p=2.64741925e+02 E_k=8.71773782e+01 E_x=0.00000000e+00 P=-1.25321567e+01 V=9.79501678e+05 (group) (0.004500) 0 total Kinetic (0.004500) 8.71773782e+01 8.71773782e+01 (pair) (0.004500) ( 0, 0) total angle (0.004500) 9.82881318e+01 9.82881318e+01 cmap (0.004500) -1.75265100e+01 -1.75265100e+01 dihedral (0.004500) 6.79423729e+01 6.79423729e+01 far_exclusion (0.004500) 2.77307356e+01 2.77307356e+01 far_terms (0.004500) 5.95418463e-09 5.95418463e-09 improper (0.004500) 7.15687020e+00 7.15687020e+00 pair_elec (0.004500) 8.23472306e+01 8.23472306e+01 pair_vdw (0.004500) 3.35402518e+00 3.35402518e+00 stretch (0.004500) 4.22536763e+01 4.22536763e+01 Total (0.004500) 3.11546533e+02 3.11546533e+02 time=0.004600 en=3.09624698e+02 E_p=2.62820045e+02 E_k=8.93351411e+01 E_x=0.00000000e+00 P=-1.22515767e+01 V=9.79501678e+05 (group) (0.004600) 0 total Kinetic (0.004600) 8.93351411e+01 8.93351411e+01 (pair) (0.004600) ( 0, 0) total angle (0.004600) 9.72818155e+01 9.72818155e+01 cmap (0.004600) -1.75378781e+01 -1.75378781e+01 dihedral (0.004600) 6.77921416e+01 6.77921416e+01 far_exclusion (0.004600) 2.77307363e+01 2.77307363e+01 far_terms (0.004600) 5.95465892e-09 5.95465892e-09 improper (0.004600) 7.05453717e+00 7.05453717e+00 pair_elec (0.004600) 8.23557138e+01 8.23557138e+01 pair_vdw (0.004600) 3.34119189e+00 3.34119189e+00 stretch (0.004600) 4.16064015e+01 4.16064015e+01 Total (0.004600) 3.09624660e+02 3.09624660e+02 time=0.004700 en=3.07766851e+02 E_p=2.60962198e+02 E_k=9.14273573e+01 E_x=0.00000000e+00 P=-1.21603942e+01 V=9.79501678e+05 (group) (0.004700) 0 total Kinetic (0.004700) 9.14273573e+01 9.14273573e+01 (pair) (0.004700) ( 0, 0) total angle (0.004700) 9.63210160e+01 9.63210160e+01 cmap (0.004700) -1.75488815e+01 -1.75488815e+01 dihedral (0.004700) 6.76432436e+01 6.76432436e+01 far_exclusion (0.004700) 2.77307365e+01 2.77307365e+01 far_terms (0.004700) 5.95515582e-09 5.95515582e-09 improper (0.004700) 6.95171486e+00 6.95171486e+00 pair_elec (0.004700) 8.23653027e+01 8.23653027e+01 pair_vdw (0.004700) 3.32928468e+00 3.32928468e+00 stretch (0.004700) 4.09743684e+01 4.09743684e+01 Total (0.004700) 3.07766785e+02 3.07766785e+02 time=0.004800 en=3.05977530e+02 E_p=2.59172877e+02 E_k=9.34510378e+01 E_x=0.00000000e+00 P=-1.19646817e+01 V=9.79501678e+05 (group) (0.004800) 0 total Kinetic (0.004800) 9.34510378e+01 9.34510378e+01 (pair) (0.004800) ( 0, 0) total angle (0.004800) 9.54060944e+01 9.54060944e+01 cmap (0.004800) -1.75603956e+01 -1.75603956e+01 dihedral (0.004800) 6.74959897e+01 6.74959897e+01 far_exclusion (0.004800) 2.77307358e+01 2.77307358e+01 far_terms (0.004800) 5.95566836e-09 5.95566836e-09 improper (0.004800) 6.84887628e+00 6.84887628e+00 pair_elec (0.004800) 8.23756778e+01 8.23756778e+01 pair_vdw (0.004800) 3.31755277e+00 3.31755277e+00 stretch (0.004800) 4.03629467e+01 4.03629467e+01 Total (0.004800) 3.05977478e+02 3.05977478e+02 time=0.004900 en=3.04263642e+02 E_p=2.57458989e+02 E_k=9.54028228e+01 E_x=0.00000000e+00 P=-1.20239909e+01 V=9.79501678e+05 (group) (0.004900) 0 total Kinetic (0.004900) 9.54028228e+01 9.54028228e+01 (pair) (0.004900) ( 0, 0) total angle (0.004900) 9.45372370e+01 9.45372370e+01 cmap (0.004900) -1.75723052e+01 -1.75723052e+01 dihedral (0.004900) 6.73507323e+01 6.73507323e+01 far_exclusion (0.004900) 2.77307361e+01 2.77307361e+01 far_terms (0.004900) 5.95619368e-09 5.95619368e-09 improper (0.004900) 6.74648803e+00 6.74648803e+00 pair_elec (0.004900) 8.23873566e+01 8.23873566e+01 pair_vdw (0.004900) 3.30598968e+00 3.30598968e+00 stretch (0.004900) 3.97773659e+01 3.97773659e+01 Total (0.004900) 3.04263600e+02 3.04263600e+02 time=0.005000 en=3.02610664e+02 E_p=2.55806011e+02 E_k=9.72801909e+01 E_x=0.00000000e+00 P=-1.19351724e+01 V=9.79501678e+05 (group) (0.005000) 0 total Kinetic (0.005000) 9.72801909e+01 9.72801909e+01 (pair) (0.005000) ( 0, 0) total angle (0.005000) 9.37121541e+01 9.37121541e+01 cmap (0.005000) -1.75836136e+01 -1.75836136e+01 dihedral (0.005000) 6.72033080e+01 6.72033080e+01 far_exclusion (0.005000) 2.77307364e+01 2.77307364e+01 far_terms (0.005000) 5.95673581e-09 5.95673581e-09 improper (0.005000) 6.64530519e+00 6.64530519e+00 pair_elec (0.005000) 8.23987161e+01 8.23987161e+01 pair_vdw (0.005000) 3.29487515e+00 3.29487515e+00 stretch (0.005000) 3.92091037e+01 3.92091037e+01 Total (0.005000) 3.02610585e+02 3.02610585e+02