! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DFVLL 0.00 ! 3-Fluoro-valine GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT0 0.3400 ATOM FG3 F1 -0.3400 GROUP ATOM CG1 CT3 -0.2700 ATOM HG11 HA 0.0900 ATOM HG12 HA 0.0900 ATOM HG13 HA 0.0900 GROUP ATOM CG2 CT3 -0.2700 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 ATOM HG23 HA 0.0900 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 FG3 CB BOND HG11 CG1 BOND HG12 CG1 BOND HG13 CG1 BOND HG21 CG2 BOND HG22 CG2 BOND HG23 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 -123.23 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 120.45 106.3900 1.0840 IC N CA CB CG1 1.46 109.83 172.30 116.36 1.55 IC N CA CB CG2 1.46 109.83 -64.96 113.88 1.55 IC N CA CB FG3 1.46 109.83 53.30 107.15 1.35 IC CA CB CG1 HG11 1.58 116.36 59.50 112.51 1.11 IC CA CB CG1 HG12 1.58 116.36 -179.37 112.31 1.11 IC CA CB CG1 HG13 1.58 116.36 -61.43 112.42 1.11 IC CA CB CG2 HG21 1.58 113.88 55.09 111.85 1.11 IC CA CB CG2 HG22 1.58 113.88 173.76 111.82 1.11 IC CA CB CG2 HG23 1.58 113.88 -65.52 112.34 1.11 IC CB N *CA C 0.00 0.00 -120 0.00 0.00 IC FG3 CA *CB CG1 0.00 0.00 120.00 0.00 0.00 IC CG1 CA *CB CG2 0.00 0.00 -120.00 0.00 0.00 IC HG11 CB *CG1 HG12 0.00 0.00 120.00 0.00 0.00 IC HG11 CB *CG1 HG13 0.00 0.00 -120.00 0.00 0.00 IC HG21 CB *CG2 HG22 0.00 0.00 120.00 0.00 0.00 IC HG21 CB *CG2 HG23 0.00 0.00 -120.00 0.00 0.00