# seed 992
timestep 20e-6
steps 300000001
temperature 291

outputPeriod 10000
outputEnergyPeriod 100000
decompPeriod 10000
outputFormat dcd
cutoff 35.0
pairlistDistance 25.0

ParticleDynamicType Langevin
ParticleLangevinIntegrator BAOAB

## Particles
particle P0
num 1
gridFile down.dx
mass 160.1
transDamping 1240 1240 1240

particle P
num 68
gridFile pmf.dx
mass 160.1
transDamping 1240 1240 1240

particle P1
num 1
gridFile up.dx
mass 160.1
transDamping 1240 1240 1240

particle B
num 70
gridFile pmf.dx
mass 181.1
transDamping 1240 1240 1240

inputCoordinates dna70.coords.txt

## Interaction potentials
tabulatedPotential  1
tabulatedFile 0@0@model/tabPot/NBPP.dat
tabulatedFile 0@1@model/tabPot/NBPP.dat
tabulatedFile 0@2@model/tabPot/NBPP.dat
tabulatedFile 0@0@model/tabPot/NBPP.dat
tabulatedFile 1@0@model/tabPot/NBPP.dat
tabulatedFile 2@0@model/tabPot/NBPP.dat

tabulatedFile 0@3@model/tabPot/NBPB.dat
tabulatedFile 1@3@model/tabPot/NBPB.dat
tabulatedFile 2@3@model/tabPot/NBPB.dat
tabulatedFile 3@0@model/tabPot/NBPB.dat
tabulatedFile 3@1@model/tabPot/NBPB.dat
tabulatedFile 3@2@model/tabPot/NBPB.dat

tabulatedFile 3@3@model/tabPot/NBBB.dat

tabulatedBondFile model/tabPot/BBP.dat
tabulatedBondFile model/tabPot/BPB.dat
tabulatedBondFile model/tabPot/BPP.dat

tabulatedAngleFile model/tabPot/b1p2b2.dat
tabulatedAngleFile model/tabPot/b1p2p3.dat
tabulatedAngleFile model/tabPot/p1p2b2.dat
tabulatedAngleFile model/tabPot/p1p2p3.dat

tabulatedDihedralFile model/tabPot/b1p1p2b2.dat
tabulatedDihedralFile model/tabPot/b1p2p3b3.dat
tabulatedDihedralFile model/tabPot/p0p1p2p3.dat

inputBonds model/dna70.bond.txt
inputAngles model/dna70.angle.txt
inputDihedrals model/dna70.dihedral.txt
inputExcludes model/dna70.exclude.txt