; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DOBF ] ; (2s)-2-amino-4,4-difluorobutanoic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 -0.1800 4 HB1 HA 0.0900 5 HB2 HA 0.0900 6 CG CT1 0.5900 7 HG HA 0.0900 8 FG1 F2 -0.3400 9 FG2 F2 -0.3400 10 C C 0.5100 11 O O -0.5100 12 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB FG1 CG FG2 CG HG CG [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N