! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI TH6 0.00 ! 4-hydroxy-l-threonine 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 0.14 ATOM HB HA 0.0900 ATOM OB1 OH1 -0.6600 ATOM HB1 H 0.4300 GROUP ATOM CG CT2 0.0500 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM OD OH1 -0.6600 ATOM HD H 0.4300 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 OB1 CB BOND CG CB BOND HB CB BOND OD CG BOND HG1 CG BOND HG2 CG BOND OB1 HB1 BOND OD HD 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 OB1 1.47 109.46 65.07 109.46 1.43 IC N CA CB CG 1.47 109.46 -54.99 109.48 1.53 IC N CA CB HB 1.47 109.46 -175.06 109.45 1.09 IC CA CB OB1 HB1 1.53 109.46 -60.10 113.98 0.97 IC CA CB CG OD 1.53 109.48 -174.98 109.48 1.43 IC CA CB CG HG1 1.53 109.48 -55.01 109.46 1.09 IC CA CB CG HG2 1.53 109.48 65.02 109.44 1.09 IC CB CG OD HD 1.53 109.48 179.98 114.08 0.97 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB OB1 0.00 0.00 120.00 0.00 0.00 IC OB1 CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC OD CB *CG HG1 0.00 0.00 120.00 0.00 0.00 IC OD CB *CG HG2 0.00 0.00 -120.00 0.00 0.00