! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DAS2 0.00 ! (2r)-2-amino-4-oxobutanoic acid 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 C 0.51 ATOM HG HCO 0.0600 ATOM OG O -0.5700 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 HG CG BOND OG CG IMPR N -C CA HN C CA +N O IMPR CG CB OG HG 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 1.51 109.45 -174.99 109.48 1.51 IC C CA CB HB1 1.51 109.45 -55.01 109.41 1.09 IC C CA CB HB2 1.51 109.45 64.91 109.50 1.09 IC CA CB CG OG 1.53 109.48 124.97 119.95 1.21 IC CA CB CG HG 1.53 109.48 -55.01 120.01 1.08