; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ D4HT ] ; 4-hydroxytryptophan [ 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 HB2 HA 0.0900 5 HB1 HA 0.0900 6 CG CY -0.0300 7 CD1 CA 0.0350 8 HD1 HP 0.1150 9 CD2 CPT -0.0200 10 NE1 NY -0.6100 11 HE1 H 0.3800 12 CE2 CPT 0.1300 13 CZ2 CA -0.1150 14 HZ2 HP 0.1150 15 CE3 CA 0.1100 16 OE3 OH1 -0.5400 17 HE3 H 0.4300 18 CZ3 CA -0.1150 19 HZ3 HP 0.1150 20 CH2 CA -0.1150 21 HH2 HP 0.1150 22 C C 0.5100 23 O O -0.5100 24 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C HB2 CB CG CB HB1 CB HD1 CD1 CG CD1 NE1 CD1 CG CD2 CE2 CD2 CE3 CD2 NE1 CE2 CZ2 CE2 OE3 CE3 CZ3 CE3 HH2 CH2 CZ3 CH2 CZ2 CH2 HZ2 CZ2 HZ3 CZ3 NE1 HE1 OE3 HE3 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N