; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DGPA ] ; 2-Amino-3-guanidinopropionic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 0.2000 4 HB1 HA 0.0900 5 HB2 HA 0.0900 6 NG NC2 -0.7000 7 HG HC 0.4400 8 CD C 0.6400 9 NE1 NC2 -0.8000 10 HE11 HC 0.4600 11 HE12 HC 0.4600 12 NE2 NC2 -0.8000 13 HE22 HC 0.4600 14 HE21 HC 0.4600 15 C C 0.5100 16 O O -0.5100 17 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CB HB1 NE1 HE11 HB2 CB NG CB HE12 NE1 CD NE1 CD NG HG NG NE2 CD HE22 NE2 HE21 NE2 [ impropers ] N -C CA HN C CA +N O CD NE1 NE2 NG [ cmap ] -C N CA C +N