!

LigParGen generated PRM file for NAMD/CHARMM

BOND
C801 C800 469.000 1.400
C802 C801 469.000 1.400
C803 C802 469.000 1.400
C804 C803 469.000 1.400
C805 C800 469.000 1.400
H806 C800 367.000 1.080
H807 C801 367.000 1.080
H808 C802 367.000 1.080
H809 C803 367.000 1.080
H810 C804 367.000 1.080
H811 C805 367.000 1.080
C805 C804 469.000 1.400

ANGLE
C800 C801 C802 63.000 120.000
C801 C802 C803 63.000 120.000
C802 C803 C804 63.000 120.000
C801 C800 C805 63.000 120.000
C801 C800 H806 35.000 120.000
C800 C801 H807 35.000 120.000
C801 C802 H808 35.000 120.000
C802 C803 H809 35.000 120.000
C803 C804 H810 35.000 120.000
C800 C805 H811 35.000 120.000
C805 C804 H810 35.000 120.000
C805 C800 H806 35.000 120.000
C804 C805 H811 35.000 120.000
C804 C803 H809 35.000 120.000
C800 C805 C804 63.000 120.000
C803 C802 H808 35.000 120.000
C803 C804 C805 63.000 120.000
C802 C801 H807 35.000 120.000

DIHEDRAL
C803 C802 C801 C800 0.00000 1 0.00000
C803 C802 C801 C800 3.62500 2 180.00000
C803 C802 C801 C800 0.00000 3 0.00000
C803 C802 C801 C800 0.00000 4 180.00000
C804 C803 C802 C801 0.00000 1 0.00000
C804 C803 C802 C801 3.62500 2 180.00000
C804 C803 C802 C801 0.00000 3 0.00000
C804 C803 C802 C801 0.00000 4 180.00000
C805 C800 C801 C802 0.00000 1 0.00000
C805 C800 C801 C802 3.62500 2 180.00000
C805 C800 C801 C802 0.00000 3 0.00000
C805 C800 C801 C802 0.00000 4 180.00000
H809 C803 C802 H808 0.00000 1 0.00000
H809 C803 C802 H808 3.62500 2 180.00000
H809 C803 C802 H808 0.00000 3 0.00000
H809 C803 C802 H808 0.00000 4 180.00000
H807 C801 C802 C803 0.00000 1 0.00000
H807 C801 C802 C803 3.62500 2 180.00000
H807 C801 C802 C803 0.00000 3 0.00000
H807 C801 C802 C803 0.00000 4 180.00000
H809 C803 C802 C801 0.00000 1 0.00000
H809 C803 C802 C801 3.62500 2 180.00000
H809 C803 C802 C801 0.00000 3 0.00000
H809 C803 C802 C801 0.00000 4 180.00000
C805 C804 C803 C802 0.00000 1 0.00000
C805 C804 C803 C802 3.62500 2 180.00000
C805 C804 C803 C802 0.00000 3 0.00000
C805 C804 C803 C802 0.00000 4 180.00000
C804 C805 C800 C801 0.00000 1 0.00000
C804 C805 C800 C801 3.62500 2 180.00000
C804 C805 C800 C801 0.00000 3 0.00000
C804 C805 C800 C801 0.00000 4 180.00000
H807 C801 C800 C805 0.00000 1 0.00000
H807 C801 C800 C805 3.62500 2 180.00000
H807 C801 C800 C805 0.00000 3 0.00000
H807 C801 C800 C805 0.00000 4 180.00000
H806 C800 C801 C802 0.00000 1 0.00000
H806 C800 C801 C802 3.62500 2 180.00000
H806 C800 C801 C802 0.00000 3 0.00000
H806 C800 C801 C802 0.00000 4 180.00000
H808 C802 C801 C800 0.00000 1 0.00000
H808 C802 C801 C800 3.62500 2 180.00000
H808 C802 C801 C800 0.00000 3 0.00000
H808 C802 C801 C800 0.00000 4 180.00000
H811 C805 C804 C803 0.00000 1 0.00000
H811 C805 C804 C803 3.62500 2 180.00000
H811 C805 C804 C803 0.00000 3 0.00000
H811 C805 C804 C803 0.00000 4 180.00000
H810 C804 C803 C802 0.00000 1 0.00000
H810 C804 C803 C802 3.62500 2 180.00000
H810 C804 C803 C802 0.00000 3 0.00000
H810 C804 C803 C802 0.00000 4 180.00000
H809 C803 C804 C805 0.00000 1 0.00000
H809 C803 C804 C805 3.62500 2 180.00000
H809 C803 C804 C805 0.00000 3 0.00000
H809 C803 C804 C805 0.00000 4 180.00000
H810 C804 C805 C800 0.00000 1 0.00000
H810 C804 C805 C800 3.62500 2 180.00000
H810 C804 C805 C800 0.00000 3 0.00000
H810 C804 C805 C800 0.00000 4 180.00000
H811 C805 C800 H806 0.00000 1 0.00000
H811 C805 C800 H806 3.62500 2 180.00000
H811 C805 C800 H806 0.00000 3 0.00000
H811 C805 C800 H806 0.00000 4 180.00000
H811 C805 C804 H810 0.00000 1 0.00000
H811 C805 C804 H810 3.62500 2 180.00000
H811 C805 C804 H810 0.00000 3 0.00000
H811 C805 C804 H810 0.00000 4 180.00000
H808 C802 C801 H807 0.00000 1 0.00000
H808 C802 C801 H807 3.62500 2 180.00000
H808 C802 C801 H807 0.00000 3 0.00000
H808 C802 C801 H807 0.00000 4 180.00000
H807 C801 C800 H806 0.00000 1 0.00000
H807 C801 C800 H806 3.62500 2 180.00000
H807 C801 C800 H806 0.00000 3 0.00000
H807 C801 C800 H806 0.00000 4 180.00000
H806 C800 C805 C804 0.00000 1 0.00000
H806 C800 C805 C804 3.62500 2 180.00000
H806 C800 C805 C804 0.00000 3 0.00000
H806 C800 C805 C804 0.00000 4 180.00000
H811 C805 C800 C801 0.00000 1 0.00000
H811 C805 C800 C801 3.62500 2 180.00000
H811 C805 C800 C801 0.00000 3 0.00000
H811 C805 C800 C801 0.00000 4 180.00000
C803 C804 C805 C800 0.00000 1 0.00000
C803 C804 C805 C800 3.62500 2 180.00000
C803 C804 C805 C800 0.00000 3 0.00000
C803 C804 C805 C800 0.00000 4 180.00000
H810 C804 C803 H809 0.00000 1 0.00000
H810 C804 C803 H809 3.62500 2 180.00000
H810 C804 C803 H809 0.00000 3 0.00000
H810 C804 C803 H809 0.00000 4 180.00000
H808 C802 C803 C804 0.00000 1 0.00000
H808 C802 C803 C804 3.62500 2 180.00000
H808 C802 C803 C804 0.00000 3 0.00000
H808 C802 C803 C804 0.00000 4 180.00000
X X X X 0.00000 1 0.000000 ! WILD CARD FOR MISSING TORSION PARAMETERS

IMPROPER
H806 C800 C801 C805 2.50000 2 180.00000
H807 C801 C800 C802 2.50000 2 180.00000
H808 C802 C801 C803 2.50000 2 180.00000
H809 C803 C802 C804 2.50000 2 180.00000
H810 C804 C803 C805 2.50000 2 180.00000
H811 C805 C800 C804 2.50000 2 180.00000
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 1.0 e14fac 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
C803 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
C804 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
C805 0.00 -0.070000 1.992370 0.00 -0.035000 1.992370
H806 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
H807 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
H808 0.00 -0.030000 1.358179 0.00 -0.015000 1.358179
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