; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DGBT ] ; Guanidinobutryric [ 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 0.2000 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 ND NC2 -0.7000 10 HD HC 0.4400 11 CE C 0.6400 12 NZ2 NC2 -0.8000 13 HZ22 HC 0.4600 14 HZ21 HC 0.4600 15 NZ1 NC2 -0.8000 16 HZ12 HC 0.4600 17 HZ11 HC 0.4600 18 C C 0.5100 19 O O -0.5100 20 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CB HB1 HB2 CB CG CB CG HG1 ND HD ND CG HG2 CG CE ND NZ2 HZ22 NZ2 CE NZ1 CE HZ21 NZ2 NZ1 HZ12 HZ11 NZ1 [ impropers ] N -C CA HN C CA +N O CE ND NZ1 NZ2 [ cmap ] -C N CA C +N