# NAMD config file numsteps 1000 structure sample.psf coordinates sample.pdb outputName run0 XSTfile run0.xst bincoordinates sample.coor binvelocities sample.vel extendedSystem sample.xsc langevin on langevinTemp 295 langevinFile sample1.0.pdb langevinCol B switching on switchDist 10 cutoff 12 pairlistdist 14 margin 3 binaryOutput yes binaryRestart yes parameters cornell.prm parameters par_silicon_ions_NEW5.inp paraTypeCharmm on wrapAll yes wrapNearest yes COMmotion no outputEnergies 100 outputTiming 100 xstFreq 100 dcdFreq 100 restartFreq 100 timestep 1 nonBondedFreq 2 fullElectFrequency 4 stepsPerCycle 20 Pme on PmeGridSizeX 48 PmeGridSizeY 48 PmeGridSizeZ 64 exclude scaled1-4 1-4scaling 1 constraints on consKCol B consref sample1.0.pdb consKFile sample1.0.pdb # electric field eFieldOn on eField 0.0 0.0 0.0