#forcefield
paratypecharmm on
parameters par_all27_prot_lipid.inp

#molecules
structure ions_added.psf
coordinates ions_added.pdb
bincoordinates restrained.restart.coor
binvelocities restrained.restart.vel
extendedSystem restrained.xsc

#temperature 310
#reassignFreq 100
#reassignTemp 25
#reassignIncr 25
#reassignHold 300

#temp & pressure coupling
langevin on
langevinTemp 310
langevinDamping 1
useGroupPressure yes
useFlexibleCell no
LangevinPiston on
LangevinPistonTarget 1
LangevinPistonPeriod 200
LangevinPistonDecay 500
LangevinPistonTemp 310

#output
outputname prod1
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 9
switching on
switchdist 8
pairlistdist 11
margin 0
exclude scaled1-4
1-4scaling 1.0 # 1.0 for Charmm, 0.833333 for Amber
PME on
#cellBasisVector1 114.39 0 0
#cellBasisVector2 0 120.16 0
#cellBasisVector3 0 0 141.96
PMEGridSizeX 120
PMEGridSizeY 120
PMEGridSizeZ 140


#minimize 1000

run 1000000