! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI ABA 0.00 ! 2-Aminobutyric 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 CT3 -0.2700 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM HG3 HA 0.0900 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 CB HB1 BOND CB HB2 BOND CG HG1 BOND CG HG2 BOND CG HG3 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 123.2300 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 -120.4500 106.3900 1.0840 IC N CA CB CG 1.46 112.41 -64.12 113.07 1.55 IC N CA CB HB1 1.46 112.41 175.35 108.59 1.09 IC N CA CB HB2 1.46 112.41 56.95 108.88 1.09 IC CA CB CG HG1 1.56 113.07 -179.99 109.54 1.09 IC CA CB CG HG2 1.56 113.07 -59.99 109.41 1.09 IC CA CB CG HG3 1.56 113.07 59.96 109.40 1.09 IC C N *CA CB 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 HG1 CB *CG HG2 0.00 0.00 120.00 0.00 0.00 IC HG1 CB *CG HG3 0.00 0.00 -120.00 0.00 0.00