# NAMD config file numsteps 1000 structure fu.psf coordinates fu.pdb outputName eq0 XSTfile eq0.xst minimization on temperature 0 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 100 restartFreq 200 timestep 1 nonBondedFreq 2 fullElectFrequency 4 stepsPerCycle 20 Pme off PmeGridSizeX 40 PmeGridSizeY 40 PmeGridSizeZ 40 exclude scaled1-4 1-4scaling 1