; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ ME0 ] ; hydroxy-l-methionine [ 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 -0.1400 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 SD S -0.0900 10 CE CT2 0.1000 11 HE1 HA 0.0900 12 HE2 HA 0.0900 13 OZ OH1 -0.6600 14 HZ H 0.4300 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 CE OZ CE HE1 CE HE2 CE SD CG HG1 CG HG2 CG OZ HZ [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N