numsteps             4000

set temperatur     310

useConstantArea      yes
useflexiblecell      yes

structure            system.psf
parameters           lib/par_all27_prot_lipid_c36.prm 
parameters           lib/chol_new.str 
paraTypeCharmm       on


# INPUT

coordinates          system.pdb

# OUTPUT
outputenergies       50
outputtiming         50
outputpressure       50
binaryoutput         no

outputname           mini
restartname          mini
restartfreq          250
binaryrestart        yes

XSTFreq              50

dcdfile              mini.dcd
dcdfreq              250

# CUT-OF
splitpatch           hydrogen
hgroupcutoff         2.8
stepspercycle        4
switching            on
vdwForceSwitching    on
switchdist           11.0
cutoff               12.0
pairlistdist         14.0
#LJcorrection         no


# H-MATRIX

cellBasisVector1 66.22 0.0 0.0
cellBasisVector2 0.0 66.2 0.0
cellBasisVector3 0.0 0.0 82.66
cellOrigin  0 0 0

# CONSTANT-T
langevin             off
langevintemp         $temperatur
langevindamping      1.0


# CONSTANT-P
langevinpiston       off
langevinpistontarget 1
langevinpistonperiod 200
langevinpistondecay  50
langevinpistontemp   $temperatur

strainrate           0.  0.  0.
usegrouppressure     yes

# PME
PME                  yes
PMETolerance         10e-6
PMEInterpOrder       4
PMEGridSpacing       1.0

# MULTIPLE TIME-STEP
fullelectfrequency   2
nonbondedfreq        1

# SHAKE/RATTLE
rigidbonds           all
rigidtolerance       0.00001
rigiditerations      400

# 1-4's
exclude              scaled1-4
1-4scaling           1.0

minimization on
minimize 4000