! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI OBF 0.00 ! (2s)-2-amino-4,4-difluorobutanoic acid 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 CT1 0.5900 ATOM HG HA 0.0900 ATOM FG1 F2 -0.3400 ATOM FG2 F2 -0.3400 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 CG CB BOND HB1 CB BOND HB2 CB BOND FG1 CG BOND FG2 CG BOND HG CG 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 N CA CB CG 1.47 109.48 -64.99 109.42 1.53 IC N CA CB HB1 1.47 109.48 54.96 109.44 1.09 IC N CA CB HB2 1.47 109.48 175.02 109.51 1.09 IC CA CB CG FG1 1.53 109.42 64.97 109.46 1.40 IC CA CB CG FG2 1.53 109.42 -175.02 109.40 1.40 IC CA CB CG HG 1.53 109.42 -55.02 109.47 1.09 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC FG1 CB *CG FG2 0.00 0.00 120.00 0.00 0.00 IC FG1 CB *CG HG 0.00 0.00 -120.00 0.00 0.00