#
# ww domain impSol normal mode
#

firststep 0
numsteps 500

seed 11

exclude scaled1-4
#commotion 0
#angularMomentum 0
#shake false

posfile wwd.min.pdb
psffile wwd_mineq.psf
parfile par_all27_prot_lipid.inp
temperature 300
eigfile    wwdaevect
eigvalfile wwdaeval

boundaryConditions vacuum

cellManager Cubic
cellsize 4.0

removeLinearMomentum  0
removeAngularMomentum 0

Integrator {
    level 1 NormModeInt {

        cyclelength 1
        fixmodes    1400
        gamma	    80
        seed        1234
        temperature 300
        nve         0
        pvel        0

        force Improper 
        force Dihedral 
        force Bond 
        force Angle 
        force time LennardJones
          -switchingFunction Cn
          -algorithm NonbondedCutoff
          -switchon 8.0
          -cutoff 10.0
          -n 4

        force CoulombDiElec
          -switchingFunction Cn
          -algorithm NonbondedCutoff
          -switchon 0.0
          -n 4
          -cutoff 10.0

    }
    level 0 NormModeMin {

        timestep 10.0
        minimlim 0.5

        force Improper
        force Dihedral
        force Bond
        force Angle
        force time LennardJones
          -switchingFunction Cn
          -algorithm NonbondedCutoff
          -switchon 3.5
          -cutoff 5.0
          -n 4

        force CoulombDiElec
          -switchingFunction Cn
          -algorithm NonbondedCutoff
          -switchon 0.0
          -n 4
          -cutoff 5.0

    }
}

#OUTPUTS

outputfreq 1

allenergiesfile wwd.anm.energy
finPDBPosFile   wwd.anm.pdb
dcdfile wwd.anm.dcd