; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ HL2 ] ; (2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 0.1400 4 HB HA 0.0900 5 OH OH1 -0.6600 6 HH H 0.4300 7 CG CT1 -0.0900 8 HG HA 0.0900 9 CD1 CT3 -0.2700 10 HD11 HA 0.0900 11 HD12 HA 0.0900 12 HD13 HA 0.0900 13 CD2 CT3 -0.2700 14 HD21 HA 0.0900 15 HD22 HA 0.0900 16 HD23 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 CD2 HD21 CD2 HD22 HD23 CD2 CG CD2 CG HG CB CG CD1 CG CB HB CD1 HD13 OH CB HD11 CD1 HD12 CD1 OH HH [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N