! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DLME -1.00 ! (3r)-3-methyl-l-glutamic 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 -0.0900 ATOM HB HA 0.0900 GROUP ATOM CG2 CT3 -0.2700 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 ATOM HG23 HA 0.0900 GROUP ATOM CG1 CT2 -0.2800 ATOM HG12 HA 0.0900 ATOM HG11 HA 0.0900 ATOM CD CC 0.62 ATOM OE1 OC -0.76 ATOM OE2 OC -0.76 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 OE1 CD BOND OE2 CD BOND CG2 HG21 BOND CG2 HG22 BOND HG23 CG2 BOND CB CG2 BOND CG1 HG12 BOND CG1 CB BOND HB CB BOND CD CG1 BOND HG11 CG1 IMPR N -C CA HN C CA +N O IMPR CD CG1 OE1 OE2 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 N CA CB CG2 1.47 109.46 59.93 109.43 1.53 IC N CA CB CG1 1.47 109.46 -60.04 109.37 1.53 IC N CA CB HB 1.47 109.46 -179.97 109.49 1.09 IC CA CB CG2 HG21 1.53 109.43 -59.97 109.53 1.09 IC CA CB CG2 HG22 1.53 109.43 60.12 109.44 1.09 IC CA CB CG2 HG23 1.53 109.43 -179.89 109.40 1.09 IC CA CB CG1 CD 1.53 109.37 -175.05 109.38 1.51 IC CA CB CG1 HG11 1.53 109.37 -55.03 109.54 1.09 IC CA CB CG1 HG12 1.53 109.37 65.05 109.54 1.09 IC CB CG1 CD OE1 1.53 109.38 0.05 120.01 1.21 IC CB CG1 CD OE2 1.53 109.38 180.00 119.95 1.34 IC CB N *CA C 0.00 0.00 -120 0.00 0.00 IC CG1 CA *CB CG2 0.00 0.00 120.00 0.00 0.00 IC CG2 CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC CD CB *CG1 HG12 0.00 0.00 120.00 0.00 0.00 IC HG12 CB *CG1 HG11 0.00 0.00 -120.00 0.00 0.00 IC OE1 CG1 *CD OE2 0.00 0.00 180.00 0.00 0.00 IC HG21 CB *CG2 HG22 0.00 0.00 120.00 0.00 0.00 IC HG21 CB *CG2 HG23 0.00 0.00 -120.00 0.00 0.00