! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI BHD -1.00 ! beta-hydroxyaspartic 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 CT1 0.04 ATOM HB HA 0.09 ATOM CG CC 0.62 ATOM OB OH1 -0.66 ATOM HOB H 0.43 ATOM OD1 OC -0.76 ATOM OD2 OC -0.76 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 OD1 CG BOND OD2 CG BOND CB HB BOND CG CB BOND OB CB BOND HOB OB IMPR N -C CA HN C CA +N O IMPR CG CB OD1 OD2 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 OB 1.47 109.52 60.06 109.48 1.43 IC N CA CB CG 1.47 109.52 -59.91 109.50 1.51 IC N CA CB HB 1.47 109.52 -179.94 109.49 1.09 IC CA CB OB HOB 1.53 109.48 179.98 109.46 0.96 IC CA CB CG OD1 1.53 109.50 119.95 120.07 1.21 IC CA CB CG OD2 1.53 109.50 -60.06 119.98 1.34 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB OB 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC OD1 CB *CG OD2 0.00 0.00 180.00 0.00 0.00