! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI TFG2 -0.00 ! 2-(Trifluoromethyl)-phenylglycine GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CA 0.0000 GROUP ATOM CG1 CA -0.14 ATOM CH1 CT0 1.16 ATOM FH1 F3 -0.34 ATOM FH2 F3 -0.34 ATOM FH3 F3 -0.34 GROUP ATOM CG2 CA -0.1150 ATOM HG2 HP 0.1150 GROUP ATOM CD1 CA -0.1150 ATOM HD1 HP 0.1150 GROUP ATOM CD2 CA -0.1150 ATOM HD2 HP 0.1150 GROUP ATOM CE CA -0.1150 ATOM HE 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 CG1 CB BOND CG2 CB BOND CE CD1 BOND CG1 CD1 BOND HD1 CD1 BOND CE CD2 BOND CG2 CD2 BOND HD2 CD2 BOND HE CE BOND CG1 CH1 BOND FH1 CH1 BOND FH2 CH1 BOND FH3 CH1 BOND HG2 CG2 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 CB CG1 CD1 CE 1.42 121.27 0.10 120.04 1.40 IC CB CG1 CD1 HD1 1.42 121.27 -179.89 119.97 1.08 IC CB CG1 CH1 FH1 1.42 119.37 155.36 109.48 1.35 IC CB CG1 CH1 FH2 1.42 119.37 -84.58 109.45 1.35 IC CB CG1 CH1 FH3 1.42 119.37 35.39 109.45 1.35 IC CB CG2 CD2 HD2 1.42 121.23 -178.08 119.89 1.08 IC CG1 CB CG2 CD2 1.42 117.56 -2.58 121.23 1.41 IC CG1 CB CG2 HG2 1.42 117.56 177.37 119.37 1.08 IC CG1 CD1 CE HE 1.41 120.04 179.12 120.16 1.08 IC CG2 CB CG1 CD1 1.42 117.56 1.58 121.27 1.41 IC CG2 CB CG1 CH1 1.42 117.56 -178.40 119.37 1.54 IC CA CG1 *CB CG2 0.00 0.00 180.00 0.00 0.00 IC CH1 CB *CG1 CD1 0.00 0.00 180.00 0.00 0.00 IC CD2 CB *CG2 HG2 0.00 0.00 180.00 0.00 0.00 IC CE CG1 *CD1 HD1 0.00 0.00 180.00 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 CG1 *CH1 FH2 0.00 0.00 120.00 0.00 0.00 IC FH1 CG1 *CH1 FH3 0.00 0.00 -120.00 0.00 0.00 IC CE CG2 *CD2 HD2 0.00 0.00 180.00 0.00 0.00 IC CD2 CD1 *CE HE 0.00 0.00 180.00 0.00 0.00