! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI BIF 0.00 ! biphenylalanine 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 CD1 CA -0.1150 ATOM HD1 HP 0.1150 GROUP ATOM CD2 CA -0.1150 ATOM HD2 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 CZ CA 0.0000 GROUP ATOM C12 CA 0.0000 GROUP ATOM C11 CA -0.1150 ATOM H11 HP 0.1150 GROUP ATOM C13 CA -0.1150 ATOM H13 HP 0.1150 GROUP ATOM C10 CA -0.1150 ATOM H10 HP 0.1150 GROUP ATOM C8 CA -0.1150 ATOM H8 HP 0.1150 GROUP ATOM C9 CA -0.1150 ATOM H9 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 C11 C10 BOND C9 C10 BOND C12 C11 BOND C13 C12 BOND CZ C12 BOND C8 C13 BOND C9 C8 BOND CG CB BOND CE1 CD1 BOND CG CD1 BOND CE2 CD2 BOND CG CD2 BOND CZ CE1 BOND CZ CE2 BOND CB HB1 BOND CB HB2 BOND CE1 HE1 BOND CD1 HD1 BOND CD2 HD2 BOND CE2 HE2 BOND C10 H10 BOND C11 H11 BOND C13 H13 BOND C8 H8 BOND C9 H9 IMPR N -C CA HN C CA +N O 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 CD1 CE1 CZ 1.41 120.95 0.37 122.80 1.43 IC CG CD1 CE1 HE1 1.41 120.95 -179.63 118.60 1.08 IC CG CD2 CE2 HE2 1.41 120.86 179.72 118.55 1.08 IC CE1 CD1 CG CD2 1.41 120.95 1.23 117.76 1.41 IC CE1 CZ C12 C11 1.43 122.55 -141.09 122.67 1.43 IC CE1 CZ C12 C13 1.43 122.55 38.49 122.66 1.43 IC CD1 CG CD2 CE2 1.41 117.76 -1.27 120.86 1.41 IC CD1 CG CD2 HD2 1.41 117.76 178.75 119.59 1.08 IC CD1 CG CB HB1 1.41 120.95 -28.23 108.52 1.09 IC CD1 CG CB HB2 1.41 120.95 -146.58 108.85 1.09 IC CD1 CE1 CZ C12 1.41 122.80 178.14 122.55 1.46 IC CD2 CG CD1 HD1 1.41 117.76 -178.80 119.53 1.08 IC CZ C12 C11 C10 1.46 122.67 -179.46 122.88 1.41 IC CZ C12 C11 H11 1.46 122.67 0.53 118.58 1.08 IC CZ C12 C13 C8 1.46 122.66 179.21 122.91 1.41 IC CZ C12 C13 H13 1.46 122.66 -0.78 118.55 1.08 IC C12 C11 C10 C9 1.43 122.88 -0.09 120.15 1.40 IC C12 C11 C10 H10 1.43 122.88 179.93 119.93 1.08 IC C12 C13 C8 H8 1.43 122.91 -179.40 119.94 1.08 IC C11 C10 C9 H9 1.41 120.15 179.38 120.34 1.08 IC CD1 CD2 *CG CB 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 CE2 CG *CD2 HD2 0.00 0.00 180.00 0.00 0.00 IC CZ CD1 *CE1 HE1 0.00 0.00 180.00 0.00 0.00 IC CE2 CE1 *CZ C12 0.00 0.00 180.00 0.00 0.00 IC C13 CZ *C12 C11 0.00 0.00 180.00 0.00 0.00 IC C10 C12 *C11 H11 0.00 0.00 180.00 0.00 0.00 IC C8 C12 *C13 H13 0.00 0.00 180.00 0.00 0.00 IC C9 C11 *C10 H10 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 CD2 *CE2 HE2 0.00 0.00 180.00 0.00 0.00 IC C9 C13 *C8 H8 0.00 0.00 180.00 0.00 0.00 IC C8 C10 *C9 H9 0.00 0.00 180.00 0.00 0.00