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leelasd/BNZ.prm

Created April 21, 2017 18:40
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Download ZIP
for NAMD protein-ligand complex
Raw
BNZ.prm
! LigParGen generated PRM file for NAMD/CHARMM
BOND
C801 C800 469.000 1.400
C802 C800 469.000 1.400
H803 C800 367.000 1.080
C804 C801 469.000 1.400
H805 C801 367.000 1.080
C806 C804 469.000 1.400
H807 C804 367.000 1.080
C808 C806 469.000 1.400
H809 C806 367.000 1.080
H810 C808 367.000 1.080
H811 C802 367.000 1.080
C808 C802 469.000 1.400
ANGLE
C801 C800 H803 35.000 120.000
C800 C801 C804 63.000 120.000
C800 C801 H805 35.000 120.000
C801 C804 C806 63.000 120.000
C801 C804 H807 35.000 120.000
C804 C806 C808 63.000 120.000
C804 C806 H809 35.000 120.000
C806 C808 H810 35.000 120.000
C800 C802 H811 35.000 120.000
C808 C802 C800 63.000 120.000
C802 C800 C801 63.000 120.000
H805 C801 C804 35.000 120.000
H807 C804 C806 35.000 120.000
C802 C808 C806 63.000 120.000
H811 C802 C808 35.000 120.000
H809 C806 C808 35.000 120.000
H803 C800 C802 35.000 120.000
H810 C808 C802 35.000 120.000
DIHEDRAL
C804 C801 C800 C802 0.00000 1 0.00000
C804 C801 C800 C802 3.62500 2 180.00000
C804 C801 C800 C802 0.00000 3 0.00000
C804 C801 C800 C802 0.00000 4 180.00000
C806 C804 C801 C800 0.00000 1 0.00000
C806 C804 C801 C800 3.62500 2 180.00000
C806 C804 C801 C800 0.00000 3 0.00000
C806 C804 C801 C800 0.00000 4 180.00000
C808 C806 C804 C801 0.00000 1 0.00000
C808 C806 C804 C801 3.62500 2 180.00000
C808 C806 C804 C801 0.00000 3 0.00000
C808 C806 C804 C801 0.00000 4 180.00000
H810 C808 C806 C804 0.00000 1 0.00000
H810 C808 C806 C804 3.62500 2 180.00000
H810 C808 C806 C804 0.00000 3 0.00000
H810 C808 C806 C804 0.00000 4 180.00000
H811 C802 C800 C801 0.00000 1 0.00000
H811 C802 C800 C801 3.62500 2 180.00000
H811 C802 C800 C801 0.00000 3 0.00000
H811 C802 C800 C801 0.00000 4 180.00000
C800 C801 C804 H807 0.00000 1 0.00000
C800 C801 C804 H807 0.00000 2 180.00000
C800 C801 C804 H807 0.15000 3 0.00000
C800 C801 C804 H807 0.00000 4 180.00000
C800 C802 C808 C806 0.00000 1 0.00000
C800 C802 C808 C806 0.00000 2 180.00000
C800 C802 C808 C806 0.15000 3 0.00000
C800 C802 C808 C806 0.00000 4 180.00000
C800 C802 C808 H810 0.00000 1 0.00000
C800 C802 C808 H810 0.00000 2 180.00000
C800 C802 C808 H810 0.15000 3 0.00000
C800 C802 C808 H810 0.00000 4 180.00000
C801 C800 C802 C808 0.00000 1 0.00000
C801 C800 C802 C808 0.00000 2 180.00000
C801 C800 C802 C808 0.15000 3 0.00000
C801 C800 C802 C808 0.00000 4 180.00000
C801 C804 C806 H809 0.00000 1 0.00000
C801 C804 C806 H809 0.00000 2 180.00000
C801 C804 C806 H809 0.15000 3 0.00000
C801 C804 C806 H809 0.00000 4 180.00000
C804 C801 C800 H803 0.00000 1 0.00000
C804 C801 C800 H803 0.00000 2 180.00000
C804 C801 C800 H803 0.15000 3 0.00000
C804 C801 C800 H803 0.00000 4 180.00000
C804 C806 C808 C802 0.00000 1 0.00000
C804 C806 C808 C802 0.00000 2 180.00000
C804 C806 C808 C802 0.15000 3 0.00000
C804 C806 C808 C802 0.00000 4 180.00000
C806 C804 C801 H805 0.00000 1 0.00000
C806 C804 C801 H805 0.00000 2 180.00000
C806 C804 C801 H805 0.15000 3 0.00000
C806 C804 C801 H805 0.00000 4 180.00000
C806 C808 C802 H811 0.00000 1 0.00000
C806 C808 C802 H811 0.00000 2 180.00000
C806 C808 C802 H811 0.15000 3 0.00000
C806 C808 C802 H811 0.00000 4 180.00000
C808 C802 C800 H803 0.00000 1 0.00000
C808 C802 C800 H803 0.00000 2 180.00000
C808 C802 C800 H803 0.15000 3 0.00000
C808 C802 C800 H803 0.00000 4 180.00000
C808 C806 C804 H807 0.00000 1 0.00000
C808 C806 C804 H807 0.00000 2 180.00000
C808 C806 C804 H807 0.15000 3 0.00000
C808 C806 C804 H807 0.00000 4 180.00000
C802 C800 C801 H805 0.00000 1 0.00000
C802 C800 C801 H805 0.00000 2 180.00000
C802 C800 C801 H805 0.15000 3 0.00000
C802 C800 C801 H805 0.00000 4 180.00000
C802 C808 C806 H809 0.00000 1 0.00000
C802 C808 C806 H809 0.00000 2 180.00000
C802 C808 C806 H809 0.15000 3 0.00000
C802 C808 C806 H809 0.00000 4 180.00000
H803 C800 C801 H805 0.00000 1 0.00000
H803 C800 C801 H805 0.00000 2 180.00000
H803 C800 C801 H805 0.15000 3 0.00000
H803 C800 C801 H805 0.00000 4 180.00000
H803 C800 C802 H811 0.00000 1 0.00000
H803 C800 C802 H811 0.00000 2 180.00000
H803 C800 C802 H811 0.15000 3 0.00000
H803 C800 C802 H811 0.00000 4 180.00000
H805 C801 C804 H807 0.00000 1 0.00000
H805 C801 C804 H807 0.00000 2 180.00000
H805 C801 C804 H807 0.15000 3 0.00000
H805 C801 C804 H807 0.00000 4 180.00000
H807 C804 C806 H809 0.00000 1 0.00000
H807 C804 C806 H809 0.00000 2 180.00000
H807 C804 C806 H809 0.15000 3 0.00000
H807 C804 C806 H809 0.00000 4 180.00000
H809 C806 C808 H810 0.00000 1 0.00000
H809 C806 C808 H810 0.00000 2 180.00000
H809 C806 C808 H810 0.15000 3 0.00000
H809 C806 C808 H810 0.00000 4 180.00000
H810 C808 C802 H811 0.00000 1 0.00000
H810 C808 C802 H811 0.00000 2 180.00000
H810 C808 C802 H811 0.15000 3 0.00000
H810 C808 C802 H811 0.00000 4 180.00000
X X X X 0.00000 1 0.000000 ! WILD CARD FOR MISSING TORSION PARAMETERS
IMPROPER
H803 C800 C801 C802 0.00000 1 0.00000
H803 C800 C801 C802 2.50000 2 180.00000
H803 C800 C801 C802 0.00000 3 0.00000
H803 C800 C801 C802 0.00000 4 180.00000
H805 C801 C800 C804 0.00000 1 0.00000
H805 C801 C800 C804 2.50000 2 180.00000
H805 C801 C800 C804 0.00000 3 0.00000
H805 C801 C800 C804 0.00000 4 180.00000
H807 C804 C801 C806 0.00000 1 0.00000
H807 C804 C801 C806 2.50000 2 180.00000
H807 C804 C801 C806 0.00000 3 0.00000
H807 C804 C801 C806 0.00000 4 180.00000
H809 C806 C804 C808 0.00000 1 0.00000
H809 C806 C804 C808 2.50000 2 180.00000
H809 C806 C804 C808 0.00000 3 0.00000
H809 C806 C804 C808 0.00000 4 180.00000
C806 C808 C802 H810 0.00000 1 0.00000
C806 C808 C802 H810 0.00000 2 180.00000
C806 C808 C802 H810 0.15000 3 0.00000
C806 C808 C802 H810 0.00000 4 180.00000
C808 C802 C800 H811 0.00000 1 0.00000
C808 C802 C800 H811 0.00000 2 180.00000
C808 C802 C800 H811 0.15000 3 0.00000
C808 C802 C800 H811 0.00000 4 180.00000
X X X X 0.00000 1 0.000000 ! WILD CARD FOR MISSING IMPROPER PARAMETERS
NONBONDED nbxmod 5 atom cdiel switch vatom vdistance vswitch -
cutnb 14.0 ctofnb 12.0 ctonnb 11.5 eps 1.0e14fac 0.5 geom
C800 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
C801 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
C802 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
H803 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
C804 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
H805 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
C806 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
H807 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
C808 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
H809 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
H810 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
H811 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
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