; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ HIL4 ] ; 4-Hydroxy-L-isoleucine [ 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 HB1 HA 0.0900 5 CG1 CT1 0.1400 6 HG11 HA 0.0900 7 OD1 OH1 -0.6600 8 HD11 H 0.4300 9 CG2 CT3 -0.2700 10 HG21 HA 0.0900 11 HG22 HA 0.0900 12 HG23 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 CG1 CB CG2 CB HB1 CB CG1 CD2 HD21 CD2 HD22 CD2 HD23 CD2 HG11 CG1 OD1 CG1 HG21 CG2 HG22 CG2 HG23 CG2 OD1 HD11 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N