; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ 4FW ] ; 4-fluorotryptophane [ 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 CY -0.0300 7 CD1 CA 0.0350 8 HD1 HP 0.1150 9 CD2 CPT -0.0200 10 NE1 NY -0.6100 11 HE1 H 0.3800 12 CE2 CPT 0.1300 13 CE3 CA 0.1900 14 FE3 F1 -0.1900 15 CZ2 CA -0.1150 16 HZ2 HP 0.1150 17 CZ3 CA -0.1150 18 HZ3 HP 0.1150 19 CH2 CA -0.1150 20 HH2 HP 0.1150 21 C C 0.5100 22 O O -0.5100 23 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CD1 HD1 NE1 HE1 CB HB1 NE1 CD1 CG CD1 CE2 NE1 CB CG CD2 CG HB2 CB CD2 CE2 CZ2 CE2 CZ2 HZ2 CE3 CD2 CH2 CZ2 FE3 CE3 CZ3 CE3 HH2 CH2 CZ3 CH2 HZ3 CZ3 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N