; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ TTQ ] ; 6-amino-7-hydroxy-l-tryptophan [ 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 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 CE3 CA -0.1150 14 HE3 HP 0.1150 15 CZ2 CA 0.1100 16 OZ2 OH1 -0.5400 17 HZ2 H 0.4300 18 CZ3 CA -0.1150 19 HZ3 HP 0.1150 20 CH2 CA 0.1000 21 N2 NH2 -0.9000 22 H21 H 0.4000 23 H22 H 0.4000 24 C C 0.5100 25 O O -0.5100 26 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CG CD1 NE1 CD1 HD1 CD1 CE2 CD2 CG CD2 CE3 CD2 NE1 CE2 CZ2 CE2 CZ3 CE3 HE3 CE3 CZ2 CH2 CZ3 CH2 N2 CH2 OZ2 CZ2 HZ3 CZ3 N2 H21 N2 H22 NE1 HE1 OZ2 HZ2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N