! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI TFP3 -0.00 ! 3-(Trifluoromethyl)-phenylalanine GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT2 -0.1800 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 GROUP ATOM CG CA 0.0000 GROUP ATOM CD1 CA -0.1150 ATOM HD1 HP 0.1150 GROUP ATOM CD2 CA -0.1150 ATOM HD2 HP 0.1150 GROUP ATOM CE1 CA -0.14 ATOM CH1 CT0 1.16 ATOM FH1 F3 -0.3400 ATOM FH2 F3 -0.3400 ATOM FH3 F3 -0.3400 GROUP ATOM CE2 CA -0.1150 ATOM HE2 HP 0.1150 GROUP ATOM CZ CA -0.1150 ATOM HZ HP 0.1150 GROUP ATOM C C 0.5100 ATOM O O -0.5100 BOND CB CA N HN N CA C CA C +N CA HA DOUBLE O C BOND CE1 CH1 BOND FH1 CH1 BOND FH2 CH1 BOND FH3 CH1 BOND CG CB BOND HB1 CB BOND HB2 CB BOND CE1 CD1 BOND CG CD1 BOND CE2 CD2 BOND CG CD2 BOND HD2 CD2 BOND CZ CE1 BOND CZ CE2 BOND HE2 CE2 BOND HZ CZ BOND CD1 HD1 IMPR N -C CA HN C CA +N O CMAP -C N CA C N CA C +N IC -C CA *N HN 1.3551 126.4900 180.0000 115.4200 0.9996 IC -C N CA C 1.3551 126.4900 180.0000 114.4400 1.5390 IC N CA C +N 1.4592 114.4400 180.0000 116.8400 1.3558 IC +N CA *C O 1.3558 116.8400 180.0000 122.5200 1.2297 IC CA C +N +CA 1.5390 116.8400 180.0000 126.7700 1.4613 IC N C *CA CB 1.4592 114.4400 123.2300 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 -120.4500 106.3900 1.0840 IC CG CD1 CE1 CZ 1.40 120.20 -0.16 119.89 1.39 IC CG CD1 CE1 CH1 1.40 120.20 179.84 120.05 1.54 IC CG CD2 CE2 HE2 1.40 120.08 -179.86 119.97 1.08 IC CD1 CG CD2 CE2 1.40 119.63 -0.23 120.08 1.39 IC CD1 CG CD2 HD2 1.40 119.63 -179.75 120.42 1.08 IC CD1 CG CB HB1 1.40 119.76 40.73 107.46 1.11 IC CD1 CG CB HB2 1.40 119.76 152.46 109.50 1.11 IC CD1 CE1 CZ HZ 1.39 119.89 -179.97 119.85 1.09 IC CD1 CE1 CH1 FH1 1.39 120.05 -65.86 109.50 1.35 IC CD1 CE1 CH1 FH2 1.39 120.05 54.21 109.47 1.35 IC CD1 CE1 CH1 FH3 1.39 120.05 174.18 109.44 1.35 IC CD2 CG CD1 CE1 1.40 119.63 0.28 120.20 1.39 IC CD2 CG CD1 HD1 1.40 119.63 -179.73 119.92 1.08 IC CD2 CD1 *CG CB 0.00 0.00 180.00 0.00 0.00 IC CE1 CG *CD1 HD1 0.00 0.00 180.00 0.00 0.00 IC CE2 CG *CD2 HD2 0.00 0.00 180.00 0.00 0.00 IC CH1 CD1 *CE1 CZ 0.00 0.00 180.00 0.00 0.00 IC CA CG *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CA CG *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC C CB *CA N 0.00 0.00 120.00 0.00 0.00 IC C CB *CA HA 0.00 0.00 -120.00 0.00 0.00 IC FH1 CE1 *CH1 FH2 0.00 0.00 120.00 0.00 0.00 IC FH1 CE1 *CH1 FH3 0.00 0.00 -120.00 0.00 0.00 IC CZ CD2 *CE2 HE2 0.00 0.00 180.00 0.00 0.00 IC CE2 CE1 *CZ HZ 0.00 0.00 180.00 0.00 0.00