; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DFP6 ] ; 2-Fluoro-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 0.1900 7 FG2 F1 -0.1900 8 CD1 CA -0.1150 9 HD1 HP 0.1150 10 CD2 CA -0.1150 11 HD2 HP 0.1150 12 CE CA -0.1150 13 HE HP 0.1150 14 C C 0.5100 15 O O -0.5100 16 [ 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 HG1 CG1 FG2 CG2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N