On Wed, Sep 22, 2010 at 15:11, case <case.biomaps.rutgers.edu> wrote:
> Remember that for flexible waters, you have to issue the instruction
> "set default FlexibleWater on"; otherwise LEaP assumes that you have a rigid
> water, and removes all of the angle terms.
Wow I completely missed that. Perhaps LEaP is too smart for its own
good. In any case, this was it, thanks.
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Received on Wed Sep 22 2010 - 13:30:11 PDT
