# This is a test namd configuration file timestep 1.0 numsteps 100000 structure alanin.psf parameters alanin.params coordinates alanin.pdb exclude scaled1-4 1-4scaling 0.4 outputname output margin 1.0 stepspercycle 20 temperature 300 langevin on langevinDamping 5 langevinHydrogen no langevinTemp 300 switching on switchdist 7.0 cutoff 8.0 pairlistdist 9.0 IMDon yes IMDport 2030 IMDfreq 1