# shared simulation options for replica exchange timestep 2.0 rigidbonds all structure ionized.psf coordinates ionized.pdb nonbondedFreq 1 fullElectFrequency 2 margin 10.0 stepspercycle 10 parameters parameter.inp exclude scaled1-4 1-4scaling 1.0 switching on switchdist 10.0 cutoff 12.0 pairlistdist 14.0 langevin on langevinDamping 5.0