; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ TFG2 ] ; 2-(Trifluoromethyl)-phenylglycine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CA 0.0000 4 CG1 CA -0.1400 5 CH1 CT0 1.1600 6 FH1 F3 -0.3400 7 FH2 F3 -0.3400 8 FH3 F3 -0.3400 9 CG2 CA -0.1150 10 HG2 HP 0.1150 11 CD1 CA -0.1150 12 HD1 HP 0.1150 13 CD2 CA -0.1150 14 HD2 HP 0.1150 15 CE CA -0.1150 16 HE HP 0.1150 17 C C 0.5100 18 O O -0.5100 19 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG1 CB CG2 CB CE CD1 CG1 CD1 HD1 CD1 CE CD2 CG2 CD2 HD2 CD2 HE CE CG1 CH1 FH1 CH1 FH2 CH1 FH3 CH1 HG2 CG2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N