#debug 2
numsteps 10500
firststep 0

posfile examples/bpti_water_1101/bpti.pdb
psffile examples/bpti_water_1101/bpti.psf
parfile examples/bpti_water_1101/bpti.par
temperature 300

# seed 29062783
# seed 1269547
seed 7536031


#outputfreq 1

#allenergiesfile bpti.out.energies.lf

boundaryConditions Periodic
cellBasisVector1 64.32 0 0
cellBasisVector2 0 51.167 0
cellBasisVector3 0 0 51.272

cellManager Cubic
cellsize 4

# shadowEnergy true
# removeLinearMomentum  1
# removeAngularMomentum 1

#Integrator {

#    level 0 Leapfrog {

#        timestep 0.5

#        force Improper 
#        force Dihedral 
#        force Bond 
#        force Angle 

#        force Coulomb
#             -algorithm NonbondedSimpleFull

#        force LennardJones
#             -algorithm NonbondedSimpleFull

#    }

#}