; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DILX ] ; 4,5-dihydroxyisoleucine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 -0.0900 4 HB HA 0.0900 5 CG1 CT1 0.1400 6 HG1 HA 0.0900 7 OG1 OH1 -0.6600 8 HOG1 H 0.4300 9 CG2 CT3 -0.2700 10 HG21 HA 0.0900 11 HG22 HA 0.0900 12 HG23 HA 0.0900 13 CD1 CT2 0.0500 14 HD11 HA 0.0900 15 HD12 HA 0.0900 16 OD1 OH1 -0.6600 17 HOD1 H 0.4300 18 C C 0.5100 19 O O -0.5100 20 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG1 CB CG2 CB OG1 CG1 CD1 CG1 OD1 CD1 CB HB CG1 HG1 CD1 HD11 CD1 HD12 OG1 HOG1 OD1 HOD1 CG2 HG21 CG2 HG22 CG2 HG23 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N