; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ 2AG ] ; 2-Allyl-glycine [ 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 CE1 -0.1500 7 HG HE1 0.1500 8 CD CE2 -0.3000 9 HD1 HE2 0.1500 10 HD2 HE2 0.1500 11 C C 0.5100 12 O O -0.5100 13 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB CD CG CB HB1 CB HB2 CG HG CD HD1 CD HD2 [ impropers ] N -C CA HN C CA +N O CG HG CD CB CD HD1 HD2 CG [ cmap ] -C N CA C +N