#forcefield
paratypecharmm on
parameters par_all27_prot_lipid.inp

#molecules
structure ions_added.psf
coordinates ions_added.pdb

temperature 310

#temp & pressure coupling
langevin on
langevinTemp 310
langevinDamping 1

#output
outputname restr_min_nachr
outputEnergies 10
restartfreq 500
DCDfreq 500
binaryoutput no
binaryrestart yes
outputTiming 100
wrapAll on
wrapNearest on

#integrator
timestep 1
nonbondedFreq 2
fullElectFrequency 4
stepspercycle 20

#approximations
rigidBonds all
rigidTolerance 0.00000001
cutoff 12
switching on
switchdist 10
pairlistdist 14
margin 3
exclude scaled1-4
1-4scaling 1.0 # 1.0 for Charmm, 0.833333 for Amber
PME on
cellBasisVector1 53.840 0 0
cellBasisVector2 0 51.840 0
cellBasisVector3 0 0 76.540
PMEGridSizeX 60
PMEGridSizeY 60
PMEGridSizeZ 80


minimize 100