On Thu, Apr 14, 2011, Jason Swails wrote:
>
> I was wondering if this was the case. However, I didn't see anything that
> would map those atoms to one another in leaprc.ff03.r1 or leaprc.ff03 (I'm
> supposed to be looking for addPdbAtomMap?). It wasn't obvious to me that
> leap should be able to make that connection based on what I saw in the
> lib/leaprc files...
It's hard-wired in the code: look for the zPdbDeconvoluteAtomName() routine.
...dac
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Received on Thu Apr 14 2011 - 11:00:03 PDT
