! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DMK -1.00 ! 3,3-dimethyl 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 CT0 -0.1000 ATOM CG1 CC 0.6200 ATOM OD1 OC -0.7600 ATOM OD2 OC -0.7600 GROUP ATOM CG3 CT3 -0.2700 ATOM HG33 HA 0.0900 ATOM HG31 HA 0.0900 ATOM HG32 HA 0.0900 GROUP ATOM CG2 CT3 -0.2700 ATOM HG22 HA 0.0900 ATOM HG23 HA 0.0900 ATOM HG21 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 OD1 CG1 BOND OD2 CG1 BOND CG3 HG33 BOND CG3 HG31 BOND HG32 CG3 BOND CB CG3 BOND CG2 HG22 BOND CG2 CB BOND CG1 CB BOND HG23 CG2 BOND HG21 CG2 IMPR N -C CA HN C CA +N O IMPR CG1 CB OD1 OD2 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 CG1 1.47 112.76 -178.69 110.28 1.54 IC N CA CB CG2 1.47 112.76 -58.88 111.06 1.54 IC N CA CB CG3 1.47 112.76 60.80 112.02 1.55 IC CA CB CG1 OD1 1.56 110.28 61.09 113.86 1.36 IC CA CB CG1 OD2 1.56 110.28 -118.57 124.45 1.23 IC CA CB CG2 HG21 1.56 111.06 -57.38 109.54 1.09 IC CA CB CG2 HG22 1.56 111.06 62.56 109.42 1.09 IC CA CB CG2 HG23 1.56 111.06 -177.49 109.52 1.09 IC CA CB CG3 HG31 1.56 112.02 57.99 109.49 1.09 IC CA CB CG3 HG32 1.56 112.02 178.02 109.52 1.09 IC CA CB CG3 HG33 1.56 112.02 -61.92 109.48 1.09 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG1 CA *CB CG3 0.00 0.00 120.00 0.00 0.00 IC CG3 CA *CB CG2 0.00 0.00 -120.00 0.00 0.00 IC OD1 CB *CG1 OD2 0.00 0.00 180.00 0.00 0.00 IC HG22 CB *CG2 HG23 0.00 0.00 120.00 0.00 0.00 IC HG22 CB *CG2 HG21 0.00 0.00 -120.00 0.00 0.00 IC HG33 CB *CG3 HG31 0.00 0.00 120.00 0.00 0.00 IC HG33 CB *CG3 HG32 0.00 0.00 -120.00 0.00 0.00