; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ TFLE ] ; 5,5,5-Trifluoro-DL-leucine [ 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 CT1 -0.0900 7 HG HA 0.0900 8 CD1 CT0 1.0200 9 FD1 F3 -0.3400 10 FD2 F3 -0.3400 11 FD3 F3 -0.3400 12 CD2 CT3 -0.2700 13 HD21 HA 0.0900 14 HD22 HA 0.0900 15 HD23 HA 0.0900 16 C C 0.5100 17 O O -0.5100 18 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB HB1 CB HB2 CB CG CD1 FD1 CD1 FD2 CD1 FD3 CD1 CG CD2 HD21 CD2 HD22 CD2 HD23 CD2 HG CG [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N