Dear Amber users,
I would like to ask about the cut off value and the water box size in PMEMD. I have read that the radius of the water box should be two times larger than the value of cutoff?
What does it mean? Could someone explain that to me?
What is the lowest cut off value that I can use in PMEMD?
How it is in case of sander?
best regards
Urszula
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Received on Fri Jan 18 2013 - 06:30:03 PST
