; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ TH6 ] ; 4-hydroxy-l-threonine [ 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 OB1 OH1 -0.6600 6 HB1 H 0.4300 7 CG CT2 0.0500 8 HG1 HA 0.0900 9 HG2 HA 0.0900 10 OD OH1 -0.6600 11 HD H 0.4300 12 C C 0.5100 13 O O -0.5100 14 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C OB1 CB CG CB HB CB OD CG HG1 CG HG2 CG OB1 HB1 OD HD [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N