; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DI2M ] ; 3-methyl-l-alloisoleucine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT0 0.0000 4 CG3 CT3 -0.2700 5 HG31 HA 0.0900 6 HG32 HA 0.0900 7 HG33 HA 0.0900 8 CG2 CT3 -0.2700 9 HG22 HA 0.0900 10 HG21 HA 0.0900 11 HG23 HA 0.0900 12 CG1 CT2 -0.1800 13 HG11 HA 0.0900 14 HG12 HA 0.0900 15 CD1 CT3 -0.2700 16 HD11 HA 0.0900 17 HD12 HA 0.0900 18 HD13 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 CG3 CB CG2 CB CG1 CB CG1 CD1 HD11 CD1 HD12 CD1 HD13 CD1 HG11 CG1 HG12 CG1 HG22 CG2 HG21 CG2 HG23 CG2 HG31 CG3 HG32 CG3 HG33 CG3 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N