! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI 2AS -1.00 ! 3-methyl-aspartic 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 CT1 -0.1900 ATOM HB2 HA 0.0900 ATOM CG1 CC 0.62 ATOM CG2 CT3 -0.2700 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 ATOM HG23 HA 0.0900 ATOM OD1 OC -0.7600 ATOM OD2 OC -0.7600 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 OD1 CG1 BOND OD2 CG1 BOND CB HB2 BOND CB CG1 BOND CG2 CB BOND HG21 CG2 BOND HG22 CG2 BOND HG23 CG2 IMPR N -C CA HN C CA +N O IMPR CG1 OD1 OD2 CB 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 C CA CB CG1 1.51 109.46 -180.00 109.48 1.51 IC C CA CB CG2 1.51 109.46 -60.07 109.46 1.53 IC C CA CB HB2 1.51 109.46 59.92 109.51 1.09 IC CA CB CG1 OD1 1.53 109.48 179.98 119.99 1.34 IC CA CB CG1 OD2 1.53 109.48 -0.06 119.99 1.21 IC CA CB CG2 HG21 1.53 109.46 60.00 109.48 1.09 IC CA CB CG2 HG22 1.53 109.46 -179.98 109.53 1.09 IC CA CB CG2 HG23 1.53 109.46 -59.92 109.50 1.09