! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI D4CY -0.00 ! nitrilo-l-methionine 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 0.0500 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM SD S -0.27 ATOM CE CN 0.59 ATOM NZ NC -0.55 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 NZ CE BOND SD CE BOND HG1 CG BOND HG2 CG BOND SD CG 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 -123.23 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 120.45 106.3900 1.0840 IC C CA CB CG 1.51 109.50 174.99 109.48 1.53 IC C CA CB HB1 1.51 109.50 -64.94 109.45 1.09 IC C CA CB HB2 1.51 109.50 55.01 109.44 1.09 IC CA CB CG SD 1.53 109.48 179.97 109.44 1.81 IC CA CB CG HG1 1.53 109.48 -59.98 109.44 1.09 IC CA CB CG HG2 1.53 109.48 60.04 109.41 1.09 IC CB CG SD CE 1.53 109.44 179.96 99.96 1.81 IC CG SD CE NZ 1.81 99.96 104.20 179.91 1.14 IC CB C *CA N 0.00 0.00 -120 0.00 0.00 IC CB C *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 CG CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC SD CB *CG HG1 0.00 0.00 120.00 0.00 0.00 IC HG1 CB *CG HG2 0.00 0.00 -120.00 0.00 0.00