! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI D4FG4 -1.00 ! 4-Fluoro-glutamic 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 0.1500 ATOM HG HA 0.0900 ATOM CD CC 0.62 ATOM FG F1 -0.3400 ATOM OE1 OC -0.7600 ATOM OE2 OC -0.7600 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 OE1 CD BOND OE2 CD BOND CG CB BOND HB1 CB BOND HB2 CB BOND CG CD BOND FG CG BOND HG CG IMPR N -C CA HN C CA +N O IMPR CD CG OE1 OE2 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 CG 1.46 107.04 -62.46 113.64 1.56 IC N CA CB HB1 1.46 107.04 53.29 105.90 1.09 IC N CA CB HB2 1.46 107.04 -178.22 105.88 1.09 IC CA CB CG CD 1.56 113.64 171.73 112.58 1.45 IC CA CB CG FG 1.56 113.64 -66.36 110.37 1.38 IC CA CB CG HG 1.56 113.64 50.82 108.65 1.09 IC CB CG CD OE1 1.56 112.58 61.83 121.36 1.23 IC CB CG CD OE2 1.56 112.58 -118.42 120.91 1.22 IC CB N *CA C 0.00 0.00 -120 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 CD CB *CG FG 0.00 0.00 120.00 0.00 0.00 IC CD CB *CG HG 0.00 0.00 -120.00 0.00 0.00 IC OE1 CG *CD OE2 0.00 0.00 180.00 0.00 0.00