; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ D4TG ] ; 4-(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 -0.1150 5 HG1 HP 0.1150 6 CG2 CA -0.1150 7 HG2 HP 0.1150 8 CD1 CA -0.1150 9 HD1 HP 0.1150 10 CD2 CA -0.1150 11 HD2 HP 0.1150 12 CE CA -0.1400 13 CH CT0 1.1600 14 FH1 F3 -0.3400 15 FH2 F3 -0.3400 16 FH3 F3 -0.3400 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 CE CH FH1 CH FH2 CH FH3 CH CG1 CB CG2 CB CE CD1 CG1 CD1 HD1 CD1 CE CD2 CG2 CD2 HD2 CD2 HG2 CG2 CG1 HG1 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N