; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ SEP ] ; phosphoserine (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 0.1000 4 HB1 HA 0.0900 5 HB2 HA 0.0900 6 OG OCC -0.5500 7 P PO4 1.4400 8 O1P OC -0.9500 9 O2P OC -0.9500 10 O3P OH1 -0.7700 11 HOP3 H 0.5000 12 C C 0.5100 13 O O -0.5100 14 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C HB1 CB HB2 CB OG CB O3P HOP3 P O1P P O2P P O3P P OG [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N