; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ OAS ] ; o-acetylserine [ 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 -0.4300 7 CD CC 0.6600 8 OD O -0.5700 9 CE CT3 -0.2100 10 HE3 HA 0.0900 11 HE1 HA 0.0900 12 HE2 HA 0.0900 13 C C 0.5100 14 O O -0.5100 15 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C OG CD CE CD OD CD HE3 CE HE1 CE HE2 CE OG CB HB1 CB HB2 CB [ impropers ] N -C CA HN C CA +N O CD OG OD CE [ cmap ] -C N CA C +N