; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ YCM ] ; cysteine-s-acetamide [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 -0.1400 4 HB1 HA 0.0900 5 HB2 HA 0.0900 6 SG S -0.0900 7 CD CT2 -0.1300 8 HD2 HA 0.0900 9 HD1 HA 0.0900 10 CE CC 0.5500 11 OZ1 O -0.5500 12 NZ2 NH2 -0.6200 13 HZ21 H 0.3200 14 HZ22 H 0.3000 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 HB1 CB HB2 CB SG CB HD2 CD HD1 CD SG CD CE CD OZ1 CE NZ2 CE NZ2 HZ21 NZ2 HZ22 [ impropers ] N -C CA HN C CA +N O CE CD NZ2 OZ1 NZ2 CE HZ21 HZ22 [ cmap ] -C N CA C +N