; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ D0A1 ] ; 4-methoxy-beta-Phe [ 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 CD1 CA -0.1150 8 HD1 HP 0.1150 9 CD2 CA -0.1150 10 HD2 HP 0.1150 11 CE1 CA -0.1150 12 HE1 HP 0.1150 13 CE2 CA -0.1150 14 HE2 HP 0.1150 15 CZ CA 0.0800 16 OH OCC -0.3600 17 CH CT3 0.0100 18 HH1 HA 0.0900 19 HH2 HA 0.0900 20 HH3 HA 0.0900 21 C C 0.5100 22 O O -0.5100 23 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB CE1 CD1 CG CD1 CE2 CD2 CG CD2 CZ CE1 CZ CE2 OH CH OH CZ CB HB1 CB HB2 CD1 HD1 CD2 HD2 CE2 HE2 CE1 HE1 CH HH1 CH HH2 CH HH3 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N