; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DAS2 ] ; (2r)-2-amino-4-oxobutanoic 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 C 0.5100 7 HG HCO 0.0600 8 OG O -0.5700 9 C C 0.5100 10 O O -0.5100 11 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB HG CG OG CG [ impropers ] N -C CA HN C CA +N O CG CB OG HG [ cmap ] -C N CA C +N