! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI LVN 0.00 ! 4-oxo-l-valine 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 C 0.51 ATOM HG11 HCO 0.06 ATOM OG1 O -0.57 GROUP ATOM CG2 CT3 -0.2700 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 ATOM HG23 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 HB CB BOND OG1 CG1 BOND HG11 CG1 BOND HG21 CG2 BOND HG22 CG2 BOND HG23 CG2 IMPR N -C CA HN C CA +N O IMPR CG1 CB OG1 HG11 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 C CA CB CG1 1.51 109.46 179.97 109.47 1.51 IC C CA CB CG2 1.51 109.46 -59.99 109.51 1.53 IC C CA CB HB 1.51 109.46 60.00 109.48 1.09 IC CA CB CG1 OG1 1.53 109.47 -120.04 120.05 1.21 IC CA CB CG1 HG11 1.53 109.47 60.10 119.95 1.08 IC CA CB CG2 HG21 1.53 109.51 -179.99 109.47 1.09 IC CA CB CG2 HG22 1.53 109.51 -59.99 109.44 1.09 IC CA CB CG2 HG23 1.53 109.51 60.00 109.44 1.09 IC CB C *CA N 0.00 0.00 120.00 0.00 0.00 IC CG1 CA *CB CG2 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 OG1 CB *CG1 HG11 0.00 0.00 180.00 0.00 0.00 IC HG21 CB *CG2 HG22 0.00 0.00 120.00 0.00 0.00 IC HG21 CB *CG2 HG23 0.00 0.00 -120.00 0.00 0.00