; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ 2HF2 ] ; 2-fluoro-l-histidine (NE2) [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 -0.0800 4 HB1 HA 0.0900 5 HB2 HA 0.0900 6 CG C5B 0.2200 7 CD2 C5A -0.0500 8 HD2 HP 0.0900 9 ND1 N5B -0.5600 10 NE2 NY -0.3600 11 HE2 H 0.3200 12 CE1 C5A 0.3700 13 F1 F1 -0.1300 14 C C 0.5100 15 O O -0.5100 16 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CG CD2 HD2 CD2 NE2 CD2 F1 CE1 ND1 CE1 NE2 CE1 ND1 CG NE2 HE2 [ impropers ] N -C CA HN C CA +N O NE2 CD2 CE1 HE2 CD2 CG NE2 HD2 CE1 ND1 NE2 F1 NE2 CE1 CD2 HE2 CD2 NE2 CG HD2 CE1 NE2 ND1 F1 [ cmap ] -C N CA C +N