; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DPTR ] ; phosphonotyrosine (charge: -1) [ 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 -0.3500 17 P PO4 1.4400 18 O1P OC -0.9500 19 O2P OC -0.9500 20 O3P OH1 -0.7700 21 HO3P H 0.5000 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 CG CB HB1 CB HB2 CB CE1 CD1 CG CD1 HD1 CD1 CE2 CD2 CG CD2 HD2 CD2 CZ CE1 HE1 CE1 CZ CE2 HE2 CE2 OH CZ O3P HO3P P O1P P O2P P O3P P OH [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N