; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ OLT ] ; o-methyl-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 0.1900 4 HB HA 0.0900 5 OG1 OCC -0.5600 6 CD1 CT3 0.0100 7 HD11 HA 0.0900 8 HD12 HA 0.0900 9 HD13 HA 0.0900 10 CG2 CT3 -0.2700 11 HG21 HA 0.0900 12 HG22 HA 0.0900 13 HG23 HA 0.0900 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 OG1 CB CG2 CB HB CB CD1 OG1 HG21 CG2 HG22 CG2 HG23 CG2 HD11 CD1 HD12 CD1 HD13 CD1 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N