On Thu, Apr 14, 2011 at 10:39 AM, David A Case <case.biomaps.rutgers.edu>wrote:
> 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.
>
I'm convinced :)
Thanks,
Jason
> ...dac
>
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Apr 14 2011 - 11:30:03 PDT
