coordinates run_0/minimization/junk.pdb structure /share/apps/genapp/sassie2/results/users/dww/doco/igg1_nolnk_dis.xplor_ext.psf temperature 300.0 paratypecharmm on parameters /share/apps/genapp/sassie2/results/users/dww/doco/combined_c36.prm exclude scaled1-4 1-4scaling 1.0 switching on switchdist 8 cutoff 10 pairlistdist 12 margin 2 rigidBonds all rigidTolerance 0.00001 rigidIterations 500 outputenergies 10 outputname junk binaryoutput no DCDfile run_0/minimization/min_00002.dcd DCDfreq 50 dielectric 1.0 timestep 1.0 stepspercycle 20 fullElectFrequency 2 nonbondedFreq 2 langevin on langevinDamping 1 langevinTemp 300.0 langevinHydrogen on run 1000 minimize 100