; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DAB ] ; Diaminobutyric 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 CT2 0.2100 7 HG1 HA 0.0500 8 HG2 HA 0.0500 9 ND NH3 -0.3000 10 HD1 HC 0.3300 11 HD2 HC 0.3300 12 HD3 HC 0.3300 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 CG CB ND CG CB HB1 CB HB2 CG HG1 CG HG2 ND HD1 ND HD2 ND HD3 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N