! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI MP34 -0.00 ! 3,4-Dimethyl-phenylalanine 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 CA 0.0000 GROUP ATOM CD2 CA -0.1150 ATOM HD2 HP 0.1150 GROUP ATOM CD1 CA -0.1150 ATOM HD1 HP 0.1150 GROUP ATOM CE2 CA -0.1150 ATOM HE2 HP 0.1150 GROUP ATOM CE1 CA 0.0000 GROUP ATOM CZ CA 0.0000 GROUP ATOM CJ CT3 -0.2700 ATOM HJ1 HA 0.0900 ATOM HJ2 HA 0.0900 ATOM HJ3 HA 0.0900 GROUP ATOM CH CT3 -0.2700 ATOM HH1 HA 0.0900 ATOM HH2 HA 0.0900 ATOM HH3 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 CE1 CJ BOND HJ1 CJ BOND HJ2 CJ BOND HJ3 CJ BOND CG CB BOND HB1 CB BOND HB2 CB BOND CE2 CD2 BOND CG CD2 BOND HD2 CD2 BOND CE1 CD1 BOND CG CD1 BOND HD1 CD1 BOND CZ CE2 BOND CZ CE1 BOND CZ CH BOND HH1 CH BOND HH2 CH BOND HH3 CH BOND CE2 HE2 IMPR N -C CA HN C CA +N O 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 CG CD2 CE2 CZ 1.40 120.06 0.13 120.04 1.39 IC CG CD2 CE2 HE2 1.40 120.06 -179.85 119.97 1.08 IC CG CD1 CE1 CJ 1.40 120.22 179.81 120.05 1.54 IC CD2 CG CD1 CE1 1.40 119.63 0.27 120.22 1.39 IC CD2 CG CD1 HD1 1.40 119.63 179.45 120.23 1.08 IC CD2 CG CB HB1 1.40 120.60 40.20 107.46 1.11 IC CD2 CG CB HB2 1.40 120.60 151.92 109.50 1.11 IC CD2 CE2 CZ CH 1.39 120.04 -179.97 119.95 1.54 IC CD1 CG CD2 CE2 1.40 119.63 -0.25 120.06 1.39 IC CD1 CG CD2 HD2 1.40 119.63 -179.74 120.44 1.08 IC CD1 CE1 CJ HJ1 1.39 120.05 117.10 109.49 1.09 IC CD1 CE1 CJ HJ2 1.39 120.05 -2.99 109.47 1.09 IC CD1 CE1 CJ HJ3 1.39 120.05 -122.93 109.45 1.09 IC CE2 CZ CH HH1 1.39 119.95 -12.74 109.51 1.09 IC CE2 CZ CH HH2 1.39 119.95 -132.89 109.49 1.09 IC CE2 CZ CH HH3 1.39 119.95 107.19 109.43 1.09 IC CD1 CB *CG CD2 0.00 0.00 180.00 0.00 0.00 IC CE2 CG *CD2 HD2 0.00 0.00 180.00 0.00 0.00 IC CE1 CG *CD1 HD1 0.00 0.00 180.00 0.00 0.00 IC CZ CD2 *CE2 HE2 0.00 0.00 180.00 0.00 0.00 IC CA CG *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CA CG *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC C CB *CA N 0.00 0.00 120.00 0.00 0.00 IC C CB *CA HA 0.00 0.00 -120.00 0.00 0.00 IC CZ CD1 *CE1 CJ 0.00 0.00 180.00 0.00 0.00 IC CE1 CE2 *CZ CH 0.00 0.00 180.00 0.00 0.00 IC HH1 CZ *CH HH2 0.00 0.00 120.00 0.00 0.00 IC HH1 CZ *CH HH3 0.00 0.00 -120.00 0.00 0.00 IC HJ1 CE1 *CJ HJ2 0.00 0.00 120.00 0.00 0.00 IC HJ1 CE1 *CJ HJ3 0.00 0.00 -120.00 0.00 0.00