! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI GGB 0.00 ! Canavanine 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 HB2 HA 0.0900 ATOM HB1 HA 0.0900 GROUP ATOM CG CT2 0.1000 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM OD OCC -0.2170 ATOM NE N=C -0.5130 ATOM CZ CC 0.5500 ATOM NH2 NH2 -0.8500 ATOM HH21 H 0.4000 ATOM HH22 H 0.4000 ATOM NH1 NH2 -0.8500 ATOM HH12 H 0.4000 ATOM HH11 H 0.4000 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 NH2 HH21 BOND HH22 NH2 BOND CZ NH2 BOND NH1 HH12 BOND CZ NH1 BOND HH11 NH1 BOND NE CZ BOND OD NE BOND CG OD BOND CG HG1 BOND CG HG2 BOND CB CG BOND HB2 CB BOND HB1 CB IMPR N -C CA HN C CA +N O IMPR CZ NH1 NH2 NE IMPR NH1 HH11 HH12 CZ IMPR NH2 HH21 HH22 CZ 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 1.47 109.48 -59.95 109.51 1.53 IC N CA CB HB1 1.47 109.48 60.03 109.44 1.09 IC N CA CB HB2 1.47 109.48 179.98 109.45 1.09 IC CA CB CG OD 1.53 109.51 -179.99 109.55 1.43 IC CA CB CG HG1 1.53 109.51 -59.95 109.43 1.09 IC CA CB CG HG2 1.53 109.51 59.92 109.48 1.09 IC CB CG OD NE 1.53 109.55 179.96 106.91 1.41 IC CG OD NE CZ 1.43 106.91 179.98 120.09 1.37 IC OD NE CZ NH1 1.41 120.09 0.00 120.00 1.30 IC OD NE CZ NH2 1.41 120.09 -179.99 120.09 1.37 IC NE CZ NH1 HH12 1.37 120.00 -179.99 120.01 0.97 IC NE CZ NH1 HH11 1.37 120.00 0.01 120.01 1.01 IC NE CZ NH2 HH21 1.37 120.09 179.93 120.06 0.97 IC NE CZ NH2 HH22 1.37 120.09 0.04 119.97 0.97 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CB N *CA HA 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 CG CA *CB HB1 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 NH2 NE *CZ NH1 0.00 0.00 180.00 0.00 0.00 IC HH12 CZ *NH1 HH11 0.00 0.00 180.00 0.00 0.00 IC HH21 CZ *NH2 HH22 0.00 0.00 180.00 0.00 0.00