; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DALO ] ; Allo-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 OG1 OH1 -0.6600 6 HG1 H 0.4300 7 CG2 CT3 -0.2700 8 HG21 HA 0.0900 9 HG22 HA 0.0900 10 HG23 HA 0.0900 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 CG2 CB HB CB OG1 CB HG21 CG2 HG22 CG2 HG23 CG2 OG1 HG1 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N