On Fri, Jun 15, 2012, Junjian Miao wrote:
>
> When doing umbrella sampling, whether ntf=ntc=2 is still able to be
> used in the above process?
Presence of absence to shake should be irrelevant to umbrella sampling: you
are only shaking the "real" bonds, not the restraints.
....dac
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Received on Fri Jun 15 2012 - 18:30:02 PDT
