; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ ESC ] ; 2-amino-4-ethyl sulfanyl butyric acid [ 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 -0.1300 11 HE2 HA 0.0900 12 HE1 HA 0.0900 13 CZ CT3 -0.2700 14 HZ1 HA 0.0900 15 HZ2 HA 0.0900 16 HZ3 HA 0.0900 17 C C 0.5100 18 O O -0.5100 19 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CZ CE HE1 CE HE2 CE SD CE HZ1 CZ HZ2 CZ HZ3 CZ HG1 CG HG2 CG SD CG [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N