; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ ORN ] ; Ornithine [ 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 CT2 0.2100 10 HD1 HA 0.0500 11 HD2 HA 0.0500 12 NE NH3 -0.3000 13 HE1 HC 0.3300 14 HE2 HC 0.3300 15 HE3 HC 0.3300 16 C C 0.5100 17 O O -0.5100 18 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CD CG HG1 CG HG2 CG NE CD HD1 CD HD2 CD HE1 NE HE2 NE HE3 NE [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N