! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI D0BN 1.00 ! 4-carbamimidoyl-l-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 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 -0.03 ATOM CH C 0.73 ATOM NJ1 NCN -0.75 ATOM HJ11 HNCN 0.4500 ATOM HJ12 HNCN 0.4500 ATOM NJ2 NCN -0.75 ATOM HJ22 HNCN 0.4500 ATOM HJ21 HNCN 0.4500 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 CB HB1 BOND CB HB2 BOND CD1 HD1 BOND CG CB BOND CG CD1 BOND CE1 CD1 BOND CD2 CG BOND CE1 HE1 BOND CZ CE1 BOND HD2 CD2 BOND CE2 CD2 BOND NJ1 HJ11 BOND CE2 CZ BOND CH CZ BOND HE2 CE2 BOND CH NJ1 BOND HJ12 NJ1 BOND NJ2 CH BOND HJ22 NJ2 BOND HJ21 NJ2 IMPR N -C CA HN C CA +N O IMPR CH NJ1 NJ2 CZ IMPR NJ1 HJ11 HJ12 CH IMPR NJ2 HJ21 HJ22 CH 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 CG CD1 CE1 CZ 1.38 120.10 0.07 119.88 1.39 IC CG CD1 CE1 HE1 1.38 120.10 179.97 120.01 1.08 IC CG CD2 CE2 HE2 1.38 120.12 -179.97 120.06 1.08 IC CD1 CG CD2 CE2 1.38 120.28 0.08 120.12 1.38 IC CD1 CG CD2 HD2 1.38 120.28 -179.96 119.94 1.08 IC CD1 CG CB HB1 1.38 119.86 -30.04 109.46 1.09 IC CD1 CG CB HB2 1.38 119.86 -150.03 109.44 1.09 IC CD1 CE1 CZ CH 1.38 119.88 179.97 120.13 1.48 IC CE1 CD1 CG CD2 1.38 120.10 -0.08 120.28 1.38 IC CE1 CZ CH NJ2 1.39 120.13 -179.99 119.99 1.38 IC CE1 CZ CH NJ1 1.39 120.13 -0.05 119.97 1.30 IC CZ CE1 CD1 HD1 1.39 119.88 179.99 119.94 1.08 IC CZ CH NJ2 HJ21 1.48 119.99 179.96 119.94 0.97 IC CZ CH NJ2 HJ22 1.48 119.99 -0.09 120.00 0.97 IC CZ CH NJ1 HJ11 1.48 119.97 0.00 120.01 0.97 IC CZ CH NJ1 HJ12 1.48 119.97 -179.98 119.99 1.01