# Bpti, modified to implicit solvent
numsteps   1000000
outputfreq 100
firststep  0
debug 0

exclude scaled1-4

posfile cbpti.min.pdb
#velfile cbpti.2ns.vel.xyz
psffile cbpti.psf
parfile par_all27_prot_lipid.inp #bpti.par
temperature 300

seed 1234

#outputs
allenergiesfile bpti.out.energies
finXYZVelFile   cbpti.out.vel.xyz
finXYZPosFile   cbpti.out.pos.xyz
dcdFile         cbpti.out.dcd
dodcdfile       true

boundaryConditions vacuum

cellManager Cubic
cellsize 6

removeLinearMomentum  0
removeAngularMomentum 0

doscpism true

Integrator {

    level 0 LangevinImpulse {
        timestep 1.0
        temperature 300
        gamma 91
        seed 1234

        force Improper 
        force Dihedral 
        force Bond 
        force Angle 

        force CoulombSCPISM
          -algorithm NonbondedCutoff
          -switchingFunction C2
          -switchon 15.0
          -cutoff 20.0

        force CoulombBornRadii
            -algorithm NonbondedCutoff
            -switchingFunction Cutoff
            -bornswitch 2
            -cutoff 5
            -cutoff 5

        force LennardJones
         -algorithm NonbondedCutoff
         -switchingFunction C2
         -switchon 15.0
         -cutoff 20.0

    }

}