; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ TIH ] ; 3-(2-thienyl)-alanine [ 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 C5A 0.0400 7 CD2 C5B -0.1500 8 HD2 HP 0.1500 9 SD1 STHI -0.0800 10 CE2 C5B -0.1500 11 HE2 HP 0.1500 12 CE1 C5A -0.1100 13 HE1 HP 0.1500 14 C C 0.5100 15 O O -0.5100 16 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CE2 CD2 CG CD2 CE2 CE1 SD1 CE1 CB CG SD1 CG HB1 CB HB2 CB CD2 HD2 CE2 HE2 CE1 HE1 [ impropers ] N -C CA HN C CA +N O CD2 CG CE2 HD2 CE2 CD2 CE1 HE2 CE1 SD1 CE2 HE1 [ cmap ] -C N CA C +N