Hello Amber
How does one do multiple windows and equilibration between windows in
umbrella sampling using type='DUMBFREQ'. Do you have to restart each
window separately and equilibrate between those windows? In type='REST'
one could do all these steps in one simulation by setting up "steps",
ninc, and weights..right?
Thanks, Steve
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Received on Wed Nov 07 2007 - 06:07:25 PST
