; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DPP ] ; 2,3-Diaminopropanoic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 0.2100 4 HB1 HA 0.0500 5 HB2 HA 0.0500 6 NG NH3 -0.3000 7 HG2 HC 0.3300 8 HG3 HC 0.3300 9 HG1 HC 0.3300 10 C C 0.5100 11 O O -0.5100 12 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C NG HG2 CB HB1 CB NG HG3 NG HG1 NG HB2 CB [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N