! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DIPH 0.00 ! di-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 CT1 -0.0900 ATOM HB HA 0.0900 GROUP ATOM CG3 CA 0.0000 GROUP ATOM CG1 CA 0.0000 GROUP ATOM CD3 CA -0.1150 ATOM HD3 HP 0.1150 GROUP ATOM CD4 CA -0.1150 ATOM HD4 HP 0.1150 GROUP ATOM CD1 CA -0.1150 ATOM HD1 HP 0.1150 GROUP ATOM CD2 CA -0.1150 ATOM HD2 HP 0.1150 GROUP ATOM CE3 CA -0.1150 ATOM HE3 HP 0.1150 GROUP ATOM CE4 CA -0.1150 ATOM HE4 HP 0.1150 GROUP ATOM CE1 CA -0.1150 ATOM HE1 HP 0.1150 GROUP ATOM CE2 CA -0.1150 ATOM HE2 HP 0.1150 GROUP ATOM CZ3 CA -0.1150 ATOM HZ3 HP 0.1150 GROUP ATOM CZ1 CA -0.1150 ATOM HZ1 HP 0.1150 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 HB CB BOND CB CG3 BOND CD3 CG3 BOND HD3 CD3 BOND CE3 CD3 BOND HE3 CE3 BOND CE3 CZ3 BOND HZ3 CZ3 BOND CE4 CZ3 BOND HE4 CE4 BOND CD4 CE4 BOND HD4 CD4 BOND CG3 CD4 BOND CB CG1 BOND CD1 CG1 BOND HD1 CD1 BOND CE1 CD1 BOND HE1 CE1 BOND CZ1 CE1 BOND HZ1 CZ1 BOND CZ1 CE2 BOND HE2 CE2 BOND CD2 CE2 BOND HD2 CD2 BOND CG1 CD2 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 CE2 CD2 CG1 CD1 1.41 121.93 0.52 116.42 1.42 IC CE2 CZ1 CE1 HE1 1.40 119.69 179.02 119.83 1.09 IC CD2 CE2 CZ1 CE1 1.41 120.03 -0.20 119.69 1.40 IC CD2 CE2 CZ1 HZ1 1.41 120.03 179.86 120.21 1.09 IC CD2 CG1 CD1 HD1 1.42 116.42 178.33 119.57 1.09 IC CD2 CG1 CB CG3 1.42 123.16 -99.93 103.91 1.51 IC CD2 CG1 CB HB 1.42 123.16 132.95 112.40 1.09 IC CG1 CD2 CE2 CZ1 1.42 121.93 0.42 120.03 1.40 IC CG1 CD2 CE2 HE2 1.42 121.93 -179.61 120.19 1.09 IC CG1 CB CG3 CD4 1.52 103.91 -149.37 121.82 1.42 IC CG1 CB CG3 CD3 1.52 103.91 31.01 120.65 1.42 IC CD1 CG1 CD2 HD2 1.42 116.42 -179.43 119.58 1.09 IC CZ3 CE4 CD4 HD4 1.40 120.09 -179.56 119.01 1.09 IC CZ3 CE3 CD3 HD3 1.41 119.98 -179.54 118.95 1.09 IC CE4 CZ3 CE3 HE3 1.40 119.78 179.21 119.81 1.09 IC CD4 CE4 CZ3 CE3 1.41 120.09 0.27 119.78 1.41 IC CD4 CE4 CZ3 HZ3 1.41 120.09 -179.69 120.18 1.09 IC CG3 CD4 CE4 HE4 1.42 121.27 -179.59 120.05 1.09 IC CZ1 CD2 *CE2 HE2 0.00 0.00 180.00 0.00 0.00 IC CG1 CE2 *CD2 HD2 0.00 0.00 180.00 0.00 0.00 IC CB CD2 *CG1 CD1 0.00 0.00 180.00 0.00 0.00 IC CE1 CG1 *CD1 HD1 0.00 0.00 180.00 0.00 0.00 IC CG3 CG1 *CB CA 0.00 0.00 120.00 0.00 0.00 IC CA CG1 *CB HB 0.00 0.00 -120.00 0.00 0.00 IC CD4 CB *CG3 CD3 0.00 0.00 180.00 0.00 0.00 IC CE4 CG3 *CD4 HD4 0.00 0.00 180.00 0.00 0.00 IC CZ3 CD4 *CE4 HE4 0.00 0.00 180.00 0.00 0.00 IC CE3 CG3 *CD3 HD3 0.00 0.00 180.00 0.00 0.00 IC C CB *CA N 0.00 0.00 120.00 0.00 0.00 IC N CB *CA HA 0.00 0.00 -120.00 0.00 0.00 IC CE3 CE4 *CZ3 HZ3 0.00 0.00 180.00 0.00 0.00 IC CZ1 CD1 *CE1 HE1 0.00 0.00 180.00 0.00 0.00 IC CZ3 CD3 *CE3 HE3 0.00 0.00 180.00 0.00 0.00 IC CE1 CE2 *CZ1 HZ1 0.00 0.00 180.00 0.00 0.00