; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ BHD ] ; beta-hydroxyaspartic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 0.0400 4 HB HA 0.0900 5 CG CC 0.6200 6 OB OH1 -0.6600 7 HOB H 0.4300 8 OD1 OC -0.7600 9 OD2 OC -0.7600 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 OD1 CG OD2 CG CB HB CG CB OB CB HOB OB [ impropers ] N -C CA HN C CA +N O CG CB OD1 OD2 [ cmap ] -C N CA C +N