> > Does minimization use PME?
>
> If not, then my suggestion certainly won't work :). I thought it did
> though, and that of course is based on no code-searching, but also a
> scan of the manual turned up no warnings that it did not work...
My impression is that pre-PME, minimization did not use the periodic
boundaries. If that's true, not sure whether PME was enabled for min.
> Perhaps someone that knows for sure can chime in.
Bill
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Received on Thu Apr 15 2010 - 11:30:03 PDT
