[ None ] [ GLY-COO- ] [ replace ] CA opls_284 12.011 -0.02 C opls_271 12.011 0.7 [ add ] 2 8 O C CA N opls_272 15.9994 -0.8 [ delete ] O [ impropers ] CA O1 C O2 improper_O_C_X_Y [ GLY-ZWITTERION_COO- ] [ replace ] CA opls_298 12.011 0.09 C opls_271 12.011 0.7 [ add ] 2 8 O C CA N opls_272 15.9994 -0.8 [ delete ] O [ impropers ] CA O1 C O2 improper_O_C_X_Y [ PRO-COO- ] [ replace ] CA opls_285 12.011 -0.09 C opls_271 12.011 0.7 [ add ] 2 8 O C CA N opls_272 15.9994 -0.8 [ delete ] O [ impropers ] CA O1 C O2 improper_O_C_X_Y [ PRO-ZWITTERION_COO- ] [ replace ] CA opls_246 12.011 0.13 C opls_271 12.011 0.7 [ add ] 2 8 O C CA N opls_272 15.9994 -0.8 [ delete ] O [ impropers ] CA O1 C O2 improper_O_C_X_Y [ COO- ] [ replace ] CA opls_283 12.011 0.04 C opls_271 12.011 0.7 [ add ] 2 8 O C CA N opls_272 15.9994 -0.8 [ delete ] O [ impropers ] CA O1 C O2 improper_O_C_X_Y [ ZWITTERION_COO- ] [ replace ] CA opls_299 12.011 0.15 C opls_271 12.011 0.7 [ add ] 2 8 O C CA N opls_272 15.9994 -0.8 [ delete ] O [ impropers ] CA O1 C O2 improper_O_C_X_Y [ GLY-COOH ] [ replace ] C opls_267 12.011 0.52 O opls_268 15.9994 -0.53 [ add ] 1 2 OT C CA N opls_269 15.9994 -0.44 1 2 HO O C CA opls_270 1.008 0.45 [ impropers ] CA OT C O improper_O_C_X_Y [ COOH ] [ replace ] C opls_267 12.011 0.52 O opls_268 15.9994 -0.53 [ add ] 1 2 OT C CA N opls_269 15.9994 -0.44 1 2 HO O C CA opls_270 1.008 0.45 [ impropers ] CA OT C O improper_O_C_X_Y