! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI CTH 0.00 ! 4-chlorothreonine 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 0.1400 ATOM HB HA 0.0900 ATOM OG1 OH1 -0.6600 ATOM HG1 H 0.4300 GROUP ATOM CG2 CT2 0.1100 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 ATOM CL2 CLAL -0.2900 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 CG2 CB BOND OG1 CB BOND HB CB BOND CL2 CG2 BOND HG21 CG2 BOND HG22 CG2 BOND OG1 HG1 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 CG2 1.47 109.50 -60.02 109.50 1.53 IC N CA CB OG1 1.47 109.50 59.95 109.49 1.43 IC N CA CB HB 1.47 109.50 179.97 109.57 1.09 IC CA CB CG2 CL2 1.53 109.50 -180.00 109.57 1.80 IC CA CB CG2 HG21 1.53 109.50 -59.98 109.54 1.09 IC CA CB CG2 HG22 1.53 109.50 60.00 109.48 1.09 IC CA CB OG1 HG1 1.53 109.49 -59.96 106.79 0.97 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG2 CA *CB OG1 0.00 0.00 120.00 0.00 0.00 IC CG2 CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC CL2 CB *CG2 HG21 0.00 0.00 120.00 0.00 0.00 IC CL2 CB *CG2 HG22 0.00 0.00 -120.00 0.00 0.00