[AMBER] Force constant in umbrella sampling

From: Fabrício Bracht <fabracht1.gmail.com>
Date: Wed, 4 Sep 2013 17:02:59 -0300

Hi. Would it be correct to use different force constants for different
windows in umbrella sampling. Since the umbiased PMF for each window is
calculated based on the N individual umbiased distribution functions, I
would imagine that this is ok, as long as the overlap between windows is
still of a considerable amount. Is this correct?
Thank you
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Received on Wed Sep 04 2013 - 13:30:02 PDT
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