! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DCHG 0.00 ! Cyclohexylglycine 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 -0.0900 ATOM HB HA 0.0900 GROUP ATOM CG1 CT2 -0.1800 ATOM HG11 HA 0.0900 ATOM HG12 HA 0.0900 GROUP ATOM CG2 CT2 -0.1800 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 GROUP ATOM CD1 CT2 -0.1800 ATOM HD11 HA 0.0900 ATOM HD12 HA 0.0900 GROUP ATOM CD2 CT2 -0.1800 ATOM HD21 HA 0.0900 ATOM HD22 HA 0.0900 GROUP ATOM CE CT2 -0.1800 ATOM HE1 HA 0.0900 ATOM HE2 HA 0.0900 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 CG1 CB BOND CG2 CB BOND CD1 CG1 BOND CE CD1 BOND CD2 CE BOND CG2 CD2 BOND CB HB BOND CG1 HG11 BOND CG1 HG12 BOND CD1 HD11 BOND CD1 HD12 BOND CE HE1 BOND CE HE2 BOND CD2 HD21 BOND CD2 HD22 BOND CG2 HG21 BOND CG2 HG22 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 -123.23 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 120.45 106.3900 1.0840 IC CA CB CG1 CD1 1.57 111.77 -179.07 112.70 1.55 IC CA CB CG1 HG11 1.57 111.77 60.42 108.64 1.09 IC CA CB CG1 HG12 1.57 111.77 -58.06 108.90 1.09 IC CA CB CG2 CD2 1.57 112.24 178.19 112.81 1.55 IC CA CB CG2 HG21 1.57 112.24 57.70 108.63 1.09 IC CA CB CG2 HG22 1.57 112.24 -60.73 108.93 1.09 IC C CA CB CG1 1.45 115.33 -175.13 111.77 1.56 IC C CA CB CG2 1.45 115.33 61.45 112.24 1.57 IC C CA CB HB 1.45 115.33 -57.00 107.74 1.09 IC CB CG1 CD1 CE 1.56 112.70 55.56 111.58 1.55 IC CB CG1 CD1 HD11 1.56 112.70 175.93 108.97 1.09 IC CB CG1 CD1 HD12 1.56 112.70 -65.03 109.08 1.09 IC CB CG2 CD2 HD21 1.57 112.81 65.94 108.83 1.09 IC CB CG2 CD2 HD22 1.57 112.81 -175.20 109.06 1.09 IC CG1 CD1 CE HE1 1.55 111.58 65.87 109.03 1.09 IC CG1 CD1 CE HE2 1.55 111.58 -174.99 109.19 1.09 IC CG2 CA *CB CG1 0.00 0.00 120.00 0.00 0.00 IC CG1 CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC CD1 CB *CG1 HG11 0.00 0.00 120.00 0.00 0.00 IC CD1 CB *CG1 HG12 0.00 0.00 -120.00 0.00 0.00 IC CE CG1 *CD1 HD11 0.00 0.00 120.00 0.00 0.00 IC CE CG1 *CD1 HD12 0.00 0.00 -120.00 0.00 0.00 IC CD2 CD1 *CE HE1 0.00 0.00 120.00 0.00 0.00 IC CD2 CD1 *CE HE2 0.00 0.00 -120.00 0.00 0.00 IC CG2 CE *CD2 HD21 0.00 0.00 120.00 0.00 0.00 IC CG2 CE *CD2 HD22 0.00 0.00 -120.00 0.00 0.00 IC CD2 CB *CG2 HG21 0.00 0.00 120.00 0.00 0.00 IC CD2 CB *CG2 HG22 0.00 0.00 -120.00 0.00 0.00