; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DAH ] ; 3,4-Dihydroxy-phenylalanine [ 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 CA 0.0000 7 CD2 CA -0.1150 8 HD2 HP 0.1150 9 CD1 CA -0.1150 10 HD1 HP 0.1150 11 CE2 CA -0.1150 12 HE2 HP 0.1150 13 CE1 CA 0.1100 14 OE1 OH1 -0.5400 15 HE1 H 0.4300 16 CZ CA 0.1100 17 OZ OH1 -0.5400 18 HZ H 0.4300 19 C C 0.5100 20 O O -0.5100 21 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CD2 CG CD1 CG CE2 CD2 HD2 CD2 CE1 CD1 HD1 CD1 CZ CE2 HE2 CE2 OE1 CE1 CZ CE1 HE1 OE1 OZ CZ HZ OZ [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N