; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DFVL ] ; 3-Fluoro-valine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT0 0.3400 4 FG3 F1 -0.3400 5 CG1 CT3 -0.2700 6 HG11 HA 0.0900 7 HG12 HA 0.0900 8 HG13 HA 0.0900 9 CG2 CT3 -0.2700 10 HG21 HA 0.0900 11 HG22 HA 0.0900 12 HG23 HA 0.0900 13 C C 0.5100 14 O O -0.5100 15 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG1 CB CG2 CB FG3 CB HG11 CG1 HG12 CG1 HG13 CG1 HG21 CG2 HG22 CG2 HG23 CG2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N