; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ D2F1 ] ; di-phenylalanine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 -0.0900 4 HB HA 0.0900 5 CG3 CA 0.0000 6 CG1 CA 0.0000 7 CD3 CA -0.1150 8 HD3 HP 0.1150 9 CD4 CA -0.1150 10 HD4 HP 0.1150 11 CD1 CA -0.1150 12 HD1 HP 0.1150 13 CD2 CA -0.1150 14 HD2 HP 0.1150 15 CE3 CA -0.1150 16 HE3 HP 0.1150 17 CE4 CA -0.1150 18 HE4 HP 0.1150 19 CE1 CA -0.1150 20 HE1 HP 0.1150 21 CE2 CA -0.1150 22 HE2 HP 0.1150 23 CZ3 CA -0.1150 24 HZ3 HP 0.1150 25 CZ1 CA -0.1150 26 HZ1 HP 0.1150 27 C C 0.5100 28 O O -0.5100 29 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C HB CB CB CG3 CD3 CG3 HD3 CD3 CE3 CD3 HE3 CE3 CE3 CZ3 HZ3 CZ3 CE4 CZ3 HE4 CE4 CD4 CE4 HD4 CD4 CG3 CD4 CB CG1 CD1 CG1 HD1 CD1 CE1 CD1 HE1 CE1 CZ1 CE1 HZ1 CZ1 CZ1 CE2 HE2 CE2 CD2 CE2 HD2 CD2 CG1 CD2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N