! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DSYM -1.00 ! 2s,4r-4-methylglutamate 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 HB2 HA 0.0900 ATOM HB1 HA 0.0900 GROUP ATOM CG CT1 -0.1900 ATOM HG HA 0.0900 ATOM CD1 CC 0.62 ATOM OE1 OC -0.7600 ATOM OE2 OC -0.7600 GROUP ATOM CD2 CT3 -0.2700 ATOM HD21 HA 0.0900 ATOM HD22 HA 0.0900 ATOM HD23 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 OE1 CD1 BOND OE2 CD1 BOND CG HG BOND CG CD1 BOND CD2 HD21 BOND CD2 CG BOND CB CG BOND HD22 CD2 BOND HD23 CD2 BOND HB2 CB BOND HB1 CB IMPR N -C CA HN C CA +N O IMPR CD1 CG 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 CB CG CD2 HD21 1.53 109.55 -178.79 109.53 1.09 IC CB CG CD2 HD22 1.53 109.55 -58.80 109.45 1.09 IC CB CG CD2 HD23 1.53 109.55 61.15 109.45 1.09 IC CB CG CD1 OE1 1.53 109.50 179.93 119.98 1.34 IC CB CG CD1 OE2 1.53 109.50 -0.02 119.97 1.21 IC CD2 CG CB HB1 1.53 109.55 -66.68 109.43 1.09 IC CD2 CG CB HB2 1.53 109.55 53.29 109.49 1.09 IC OE1 CD1 CG HG 1.34 119.98 59.98 109.43 1.09 IC CG CA *CB HB2 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 CD1 CB *CG CD2 0.00 0.00 120.00 0.00 0.00 IC CD1 CB *CG HG 0.00 0.00 -120.00 0.00 0.00 IC OE1 CG *CD1 OE2 0.00 0.00 180.00 0.00 0.00 IC N CB *CA HA 0.00 0.00 120 0.00 0.00 IC HD21 CG *CD2 HD22 0.00 0.00 120.00 0.00 0.00 IC HD21 CG *CD2 HD23 0.00 0.00 -120.00 0.00 0.00