! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI CAN 0.00 ! canaline GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT2 -0.1800 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 GROUP ATOM CG CT2 0.10 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM OD OCC -0.1800 ATOM NE NR -0.8200 ATOM HE1 HNR 0.3600 ATOM HE2 HNR 0.3600 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 HB1 CB BOND HB2 CB BOND OD CG BOND HG1 CG BOND HG2 CG BOND NE HE1 BOND NE HE2 BOND OD NE 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 CG 1.47 109.50 -60.01 109.50 1.53 IC N CA CB HB1 1.47 109.50 179.98 109.48 1.09 IC N CA CB HB2 1.47 109.50 59.94 109.45 1.09 IC CA CB CG OD 1.53 109.50 -180.00 109.57 1.43 IC CA CB CG HG1 1.53 109.50 59.99 109.49 1.09 IC CA CB CG HG2 1.53 109.50 -59.94 109.45 1.09 IC CB CG OD NE 1.53 109.57 -180.00 106.90 1.46 IC CG OD NE HE1 1.43 106.90 -179.92 106.77 1.01 IC CG OD NE HE2 1.43 106.90 -66.15 106.64 1.01 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB2 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 IC HE1 OD *NE HE2 0.00 0.00 180.00 0.00 0.00