! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI GME 0.00 ! 5-o-methyl-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 CT2 -0.1800 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 GROUP ATOM CG CT2 -0.1200 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM CD CC 0.66 ATOM OE2 OCC -0.4300 ATOM OE1 O -0.5700 ATOM CZ CT3 0.0100 ATOM HZ2 HA 0.0900 ATOM HZ1 HA 0.0900 ATOM HZ3 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 HB1 CB BOND HB2 CB BOND OE2 CD BOND CG CD BOND OE1 CD BOND HG1 CG BOND HG2 CG BOND OE2 CZ BOND HZ2 CZ BOND HZ1 CZ BOND HZ3 CZ IMPR N -C CA HN C CA +N O IMPR CD 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 123.2300 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 -120.4500 106.3900 1.0840 IC C CA CB CG 1.51 109.48 175.01 109.45 1.53 IC C CA CB HB1 1.51 109.48 -64.98 109.55 1.09 IC C CA CB HB2 1.51 109.48 55.15 109.40 1.09 IC CA CB CG CD 1.53 109.45 -179.94 109.43 1.51 IC CA CB CG HG1 1.53 109.45 -59.94 109.44 1.09 IC CA CB CG HG2 1.53 109.45 60.01 109.44 1.09 IC CB CG CD OE1 1.53 109.43 0.05 120.10 1.21 IC CB CG CD OE2 1.53 109.43 -179.99 119.96 1.34 IC CD OE2 CZ HZ1 1.34 116.98 -59.97 109.54 1.09 IC CD OE2 CZ HZ2 1.34 116.98 60.09 109.48 1.09 IC CD OE2 CZ HZ3 1.34 116.98 179.95 109.49 1.09 IC CG CD OE2 CZ 1.51 119.96 179.97 116.98 1.45 IC CB C *CA N 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 CD CB *CG HG1 0.00 0.00 120.00 0.00 0.00 IC CD CB *CG HG2 0.00 0.00 -120.00 0.00 0.00 IC OE2 CG *CD OE1 0.00 0.00 180.00 0.00 0.00 IC HZ2 OE2 *CZ HZ1 0.00 0.00 120.00 0.00 0.00 IC HZ2 OE2 *CZ HZ3 0.00 0.00 -120.00 0.00 0.00