structure ./N62-1/N62-2wation.psf coordinates ./N62-1/N62-2equil1.coor velocities ./N62-1/N62-2equil1.vel extendedSystem ./N62-1/N62-2equil1.xsc parameters par_all27_prot_lipid.inp paraTypeCharmm on outputEnergies 500 outputTiming 500 xstFreq 2500 dcdFreq 2500 wrapAll on wrapNearest on timestep 2 nonBondedFreq 2 fullElectFrequency 4 stepsPerCycle 20 exclude scaled1-4 1-4scaling 1.0 switching on switchDist 8.5 cutoff 10 pairlistdist 11.5 margin 5 Pme on PmeGridsizeX 80 PmeGridsizeY 78 PmeGridsizeZ 82 langevin on langevinDamping 1 langevinTemp 310 langevinHydrogen no langevinPiston on langevinPistonTarget 1.01325 langevinPistonPeriod 200 langevinPistonDecay 500 langevinPistonTemp 310 useGroupPressure yes # smaller fluctuatios useFlexibleCell yes # allow dimensions to fluctuate independently useConstantRatio yes #fix shape in x-y plane binaryoutput off outputname ./N62-1/N62-2npt1 firsttimestep 22000 run 122000