; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ D4TF ] ; 4-tert-butyl-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 CD1 CA -0.1150 8 HD1 HP 0.1150 9 CD2 CA -0.1150 10 HD2 HP 0.1150 11 CE1 CA -0.1150 12 HE1 HP 0.1150 13 CE2 CA -0.1150 14 HE2 HP 0.1150 15 CZ CA 0.0000 16 CH CT0 0.0000 17 CJ1 CT3 -0.2700 18 HJ11 HA 0.0900 19 HJ12 HA 0.0900 20 HJ13 HA 0.0900 21 CJ2 CT3 -0.2700 22 HJ21 HA 0.0900 23 HJ22 HA 0.0900 24 HJ23 HA 0.0900 25 CJ3 CT3 -0.2700 26 HJ31 HA 0.0900 27 HJ32 HA 0.0900 28 HJ33 HA 0.0900 29 C C 0.5100 30 O O -0.5100 31 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CE1 CD1 CG CD1 HD1 CD1 CE2 CD2 CG CD2 HD2 CD2 CZ CE1 HE1 CE1 CZ CE2 HE2 CE2 CJ1 CH CJ2 CH CJ3 CH CZ CH HJ11 CJ1 HJ12 CJ1 HJ13 CJ1 HJ21 CJ2 HJ22 CJ2 HJ23 CJ2 HJ31 CJ3 HJ32 CJ3 HJ33 CJ3 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N