; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DSME ] ; Methionine sulfoxide [ 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 HB2 HA 0.0900 5 HB1 HA 0.0900 6 CG CT2 0.0100 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 SD SO 0.1200 10 OE O -0.5000 11 CE CT3 -0.0800 12 HE3 HA 0.0900 13 HE2 HA 0.0900 14 HE1 HA 0.0900 15 C C 0.5100 16 O O -0.5100 17 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB SD CG HG1 CG HG2 CG SD CE HE1 CE HE2 CE HE3 CE SD OE [ impropers ] N -C CA HN C CA +N O SD OE CE CG [ cmap ] -C N CA C +N