; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ GHG ] ; (2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic 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 0.1400 7 HG HA 0.0900 8 OG1 OH1 -0.6600 9 HG1 H 0.4300 10 CD CC 0.5500 11 OE1 O -0.5500 12 NE2 NH2 -0.6200 13 HE21 H 0.3200 14 HE22 H 0.3000 15 C C 0.5100 16 O O -0.5100 17 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB NE2 CD CG CD OE1 CD OG1 CG HG CG NE2 HE21 NE2 HE22 OG1 HG1 [ impropers ] N -C CA HN C CA +N O CD CG OE1 NE2 NE2 CD HE21 HE22 [ cmap ] -C N CA C +N