# NAMD config file numsteps 5000 structure fu.psf coordinates fu.pdb outputName eq1 XSTfile eq1.xst temperature 0 reassignFreq 1 reassignTemp 0 reassignIncr 1 reassignHold 310 Bincoordinates eq0.coor extendedSystem eq0.xsc switching on switchDist 10 cutoff 12 pairlistdist 14 margin 3 binaryOutput yes binaryRestart yes parameters par file.par parameters par2.prm paraTypeCharmm on wrapAll yes wrapNearest yes COMmotion no outputEnergies 200 outputTiming 200 xstFreq 200 dcdFreq 200 restartFreq 200 timestep 1 nonBondedFreq 2 fullElectFrequency 4 stepsPerCycle 20 Pme off PmeGridSizeX 40 PmeGridSizeY 40 PmeGridSizeZ 40 exclude scaled1-4 1-4scaling 1