; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DOMT ] ; Methionine sulfone [ 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 CT2 -0.0700 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 SD SO2 1.0800 10 OE1 OC -0.6500 11 OE2 OC -0.6500 12 CE CT3 -0.1600 13 HE1 HA 0.0900 14 HE2 HA 0.0900 15 HE3 HA 0.0900 16 C C 0.5100 17 O O -0.5100 18 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB HE1 CE HE2 CE HE3 CE SD CE HG1 CG HG2 CG SD CG SD OE1 SD OE2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N