! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI YCM -0.00 ! cysteine-s-acetamide 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 -0.1400 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 ATOM SG S -0.0900 ATOM CD CT2 -0.1300 ATOM HD2 HA 0.0900 ATOM HD1 HA 0.0900 GROUP ATOM CE CC 0.55 ATOM OZ1 O -0.55 GROUP ATOM NZ2 NH2 -0.62 ATOM HZ21 H 0.32 ATOM HZ22 H 0.30 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 HB1 CB BOND HB2 CB BOND SG CB BOND HD2 CD BOND HD1 CD BOND SG CD BOND CE CD BOND OZ1 CE BOND NZ2 CE BOND NZ2 HZ21 BOND NZ2 HZ22 IMPR N -C CA HN C CA +N O IMPR CE CD NZ2 OZ1 IMPR NZ2 CE HZ21 HZ22 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 SG 1.44 112.04 67.29 113.65 1.82 IC N CA CB HB1 1.44 112.04 -172.11 108.42 1.09 IC N CA CB HB2 1.44 112.04 -53.94 108.77 1.09 IC CA CB SG CD 1.53 113.65 178.32 98.09 1.81 IC CB SG CD CE 1.82 98.09 -179.96 108.94 1.51 IC CB SG CD HD1 1.82 98.09 -60.06 109.51 1.09 IC CB SG CD HD2 1.82 98.09 60.14 109.49 1.09 IC SG CD CE OZ1 1.81 108.94 59.29 122.71 1.23 IC SG CD CE NZ2 1.81 108.94 -120.18 113.62 1.38 IC CD CE NZ2 HZ21 1.51 113.62 -0.30 119.97 1.01 IC CD CE NZ2 HZ22 1.51 113.62 179.84 119.99 1.01 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC SG 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 CE SG *CD HD2 0.00 0.00 120.00 0.00 0.00 IC HD2 SG *CD HD1 0.00 0.00 -120.00 0.00 0.00 IC NZ2 CD *CE OZ1 0.00 0.00 180.00 0.00 0.00 IC HZ21 CE *NZ2 HZ22 0.00 0.00 180.00 0.00 0.00