; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ MP34 ] ; 3,4-Dimethyl-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 0.0000 15 CJ CT3 -0.2700 16 HJ1 HA 0.0900 17 HJ2 HA 0.0900 18 HJ3 HA 0.0900 19 CH CT3 -0.2700 20 HH1 HA 0.0900 21 HH2 HA 0.0900 22 HH3 HA 0.0900 23 C C 0.5100 24 O O -0.5100 25 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CE1 CJ HJ1 CJ HJ2 CJ HJ3 CJ CG CB HB1 CB HB2 CB CE2 CD2 CG CD2 HD2 CD2 CE1 CD1 CG CD1 HD1 CD1 CZ CE2 CZ CE1 CZ CH HH1 CH HH2 CH HH3 CH CE2 HE2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N