; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ THG3 ] ; 3-thienylglycine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB C5B -0.0000 4 CG1 C5A -0.1100 5 HG1 HP 0.1500 6 CG2 C5B -0.1500 7 HG2 HP 0.1500 8 SD1 STHI -0.0800 9 CD2 C5A -0.1100 10 HD2 HP 0.1500 11 C C 0.5100 12 O O -0.5100 13 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CB CG1 CG2 CB CG1 SD1 CD2 CG2 CD2 SD1 CG1 HG1 CG2 HG2 CD2 HD2 [ impropers ] N -C CA HN C CA +N O CG1 CB SD1 HG1 CG2 CB CD2 HG2 CD2 CG2 SD1 HD2 [ cmap ] -C N CA C +N