! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI LVG 0.00 ! vinylglycine GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CE1 -0.15 ATOM HB HE1 0.1500 ATOM CG CE2 -0.3000 ATOM HG1 HE2 0.1500 ATOM HG2 HE2 0.1500 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 CG CB BOND HB CB BOND HG1 CG BOND HG2 CG IMPR N -C CA HN C CA +N O IMPR CB CA CG HB 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 CG 1.47 109.45 -119.99 120.12 1.31 IC N CA CB HB 1.47 109.45 60.06 120.06 1.08 IC CA CB CG HG1 1.51 120.12 -179.97 120.10 1.08 IC CA CB CG HG2 1.51 120.12 0.01 119.87 1.08 IC C N *CA CB 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB 0.00 0.00 180.00 0.00 0.00 IC HG1 CB *CG HG2 0.00 0.00 180.00 0.00 0.00