; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ APD ] ; 3-Methyl-phenylalanine [ 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 CA 0.0000 7 CD2 CA -0.1150 8 HD2 HP 0.1150 9 CD1 CA -0.1150 10 HD1 HP 0.1150 11 CE2 CA -0.1150 12 HE2 HP 0.1150 13 CE1 CA 0.0000 14 CZ CA -0.1150 15 HZ HP 0.1150 16 CH CT3 -0.2700 17 HH1 HA 0.0900 18 HH2 HA 0.0900 19 HH3 HA 0.0900 20 C C 0.5100 21 O O -0.5100 22 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CD2 CG CD1 CG CE2 CD2 HD2 CD2 CE1 CD1 HD1 CD1 CZ CE2 CZ CE1 CH CE1 HZ CZ HH1 CH HH2 CH HH3 CH CE2 HE2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N