; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ MOT5 ] ; 5-Methoxy-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 -0.1150 16 HZ2 HP 0.1150 17 CZ3 CA 0.0800 18 OZ3 OCC -0.3600 19 CJ3 CT3 0.0100 20 HJ31 HA 0.0900 21 HJ32 HA 0.0900 22 HJ33 HA 0.0900 23 CH2 CA -0.1150 24 HH2 HP 0.1150 25 C C 0.5100 26 O O -0.5100 27 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CG CD1 HD1 CD1 NE1 CD1 CE2 CD2 CE3 CD2 CG CD2 CZ2 CE2 NE1 CE2 CZ3 CE3 HE3 CE3 CZ2 CH2 CZ3 CH2 HH2 CH2 HJ31 CJ3 HJ32 CJ3 HJ33 CJ3 OZ3 CJ3 HZ2 CZ2 OZ3 CZ3 NE1 HE1 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N