; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ HLEU ] ; Homoleucine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 -0.1800 4 HB1 HA 0.0900 5 HB2 HA 0.0900 6 CG CT2 -0.1800 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 CD CT1 -0.0900 10 HD HA 0.0900 11 CE1 CT3 -0.2700 12 HE11 HA 0.0900 13 HE12 HA 0.0900 14 HE13 HA 0.0900 15 CE2 CT3 -0.2700 16 HE21 HA 0.0900 17 HE22 HA 0.0900 18 HE23 HA 0.0900 19 C C 0.5100 20 O O -0.5100 21 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CG CD CE1 CD CE2 CD HD CD HG1 CG HG2 CG HE11 CE1 HE12 CE1 HE13 CE1 HE21 CE2 HE22 CE2 HE23 CE2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N