; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ CHG ] ; Cyclohexylglycine [ 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 CT2 -0.1800 6 HG11 HA 0.0900 7 HG12 HA 0.0900 8 CG2 CT2 -0.1800 9 HG21 HA 0.0900 10 HG22 HA 0.0900 11 CD1 CT2 -0.1800 12 HD11 HA 0.0900 13 HD12 HA 0.0900 14 CD2 CT2 -0.1800 15 HD21 HA 0.0900 16 HD22 HA 0.0900 17 CE CT2 -0.1800 18 HE1 HA 0.0900 19 HE2 HA 0.0900 20 C C 0.5100 21 O O -0.5100 22 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG1 CB CG2 CB CD1 CG1 CE CD1 CD2 CE CG2 CD2 CB HB CG1 HG11 CG1 HG12 CD1 HD11 CD1 HD12 CE HE1 CE HE2 CD2 HD21 CD2 HD22 CG2 HG21 CG2 HG22 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N