; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ MTY ] ; m-Tyrosine [ 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 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 -0.1150 17 HZ HP 0.1150 18 C C 0.5100 19 O O -0.5100 20 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C HB2 CB HB1 CB CG CB CG CD2 HD2 CD2 CE2 CD2 HE2 CE2 CZ CE2 HZ CZ CZ CE1 OE1 CE1 OE1 HE1 CE1 CD1 HD1 CD1 CG CD1 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N