! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI HRG 1.00 ! homoarginine 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 -0.1800 ATOM HG2 HA 0.0900 ATOM HG1 HA 0.0900 GROUP ATOM CD CT2 -0.1800 ATOM HD1 HA 0.0900 ATOM HD2 HA 0.0900 GROUP ATOM CE CT2 0.2000 ATOM HE2 HA 0.0900 ATOM HE1 HA 0.0900 ATOM NZ NC2 -0.70 ATOM HZ HC 0.4400 ATOM CH C 0.6400 ATOM NJ1 NC2 -0.80 ATOM HJ11 HC 0.46 ATOM HJ12 HC 0.46 ATOM NJ2 NC2 -0.80 ATOM HJ21 HC 0.46 ATOM HJ22 HC 0.46 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 NJ1 HJ11 BOND NJ1 HJ12 BOND CH NJ1 BOND CD HD1 BOND NZ HZ BOND NZ CH BOND NJ2 CH BOND CE NZ BOND CE HE2 BOND CB HB1 BOND NJ2 HJ21 BOND HJ22 NJ2 BOND CE CD BOND HD2 CD BOND CG CD BOND CG HG2 BOND HE1 CE BOND CG CB BOND HB2 CB BOND HG1 CG IMPR N -C CA HN C CA +N O IMPR CH NJ1 NJ2 NZ 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 1.47 109.41 -65.08 109.46 1.53 IC N CA CB HB1 1.47 109.41 55.01 109.53 1.09 IC N CA CB HB2 1.47 109.41 174.95 109.50 1.09 IC CA CB CG CD 1.53 109.46 -179.92 109.44 1.53 IC CA CB CG HG1 1.53 109.46 -59.94 109.50 1.09 IC CA CB CG HG2 1.53 109.46 60.10 109.42 1.09 IC CB CG CD CE 1.53 109.44 -179.95 109.43 1.53 IC CB CG CD HD1 1.53 109.44 -60.05 109.40 1.09 IC CB CG CD HD2 1.53 109.44 60.00 109.49 1.09 IC CD CE NZ CH 1.53 109.49 -179.96 120.08 1.38 IC CD CE NZ HZ 1.53 109.49 -0.15 119.93 0.97 IC CG CD CE NZ 1.53 109.43 -179.99 109.49 1.46 IC CG CD CE HE1 1.53 109.43 -60.01 109.48 1.09 IC CG CD CE HE2 1.53 109.43 59.97 109.49 1.09 IC CE NZ CH NJ1 1.46 120.08 179.93 120.04 1.30 IC CE NZ CH NJ2 1.46 120.08 -0.11 119.93 1.37 IC NZ CH NJ1 HJ12 1.38 120.04 179.81 119.97 0.97 IC NZ CH NJ1 HJ11 1.38 120.04 -0.06 120.04 1.01 IC NZ CH NJ2 HJ21 1.38 119.93 -179.91 120.05 0.97 IC NZ CH NJ2 HJ22 1.38 119.93 0.09 120.03 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 HB1 0.00 0.00 120.00 0.00 0.00 IC HB1 CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CD CB *CG HG2 0.00 0.00 120.00 0.00 0.00 IC CD CB *CG HG1 0.00 0.00 -120.00 0.00 0.00 IC CE CG *CD HD1 0.00 0.00 120.00 0.00 0.00 IC HD1 CG *CD HD2 0.00 0.00 -120.00 0.00 0.00 IC NZ CD *CE HE2 0.00 0.00 120.00 0.00 0.00 IC NZ CD *CE HE1 0.00 0.00 -120.00 0.00 0.00 IC CH CE *NZ HZ 0.00 0.00 180.00 0.00 0.00 IC NJ1 NZ *CH NJ2 0.00 0.00 180.00 0.00 0.00 IC HJ11 CH *NJ1 HJ12 0.00 0.00 180.00 0.00 0.00 IC HJ21 CH *NJ2 HJ22 0.00 0.00 180.00 0.00 0.00