! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI FLA -0.00 ! Trifluoro-alanine 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 1.0200 ATOM FG1 F3 -0.3400 ATOM FG2 F3 -0.3400 ATOM FG3 F3 -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 FG1 CB BOND FG2 CB BOND FG3 CB 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 FG1 1.47 110.40 -178.22 111.09 1.37 IC N CA CB FG2 1.47 110.40 60.44 112.07 1.38 IC N CA CB FG3 1.47 110.40 -59.53 110.60 1.38 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC FG1 CA *CB FG2 0.00 0.00 120.00 0.00 0.00 IC FG1 CA *CB FG3 0.00 0.00 -120.00 0.00 0.00