; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ AHP ] ; 2-Aminoheptanoic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 -0.1800 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 -0.1800 10 HD1 HA 0.0900 11 HD2 HA 0.0900 12 CE CT2 -0.1800 13 HE1 HA 0.0900 14 HE2 HA 0.0900 15 CZ CT3 -0.2700 16 HZ1 HA 0.0900 17 HZ2 HA 0.0900 18 HZ3 HA 0.0900 19 C C 0.5100 20 O O -0.5100 21 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CE CD CG CD HD1 CD HD2 CD CZ CE HE1 CE HE2 CE HG1 CG HG2 CG HZ1 CZ HZ2 CZ HZ3 CZ [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N