; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DFGL ] ; 2-aminopropanedioic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CC 0.5200 4 OG1 OC -0.7600 5 OG2 OC -0.7600 6 C C 0.5100 7 O O -0.5100 8 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CB OG1 CB OG2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N