; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DAA4 ] ; 2-amino-5-hydroxypentanoic 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 -0.1800 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 CD CT2 0.0500 10 HD2 HA 0.0900 11 HD1 HA 0.0900 12 OE OH1 -0.6600 13 HE H 0.4300 14 C C 0.5100 15 O O -0.5100 16 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CG CD OE CD HD2 CD HD1 CD HG1 CG HG2 CG OE HE [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N