On Fri, Aug 12, 2016 at 10:52 AM, Thomas Pochapsky
<pochapsk.brandeis.edu> wrote:
>
> I tried 'fixatomorder", no difference.
The 'fixatomorder' command will fix and reorder the topology (and
coordinates) internally. If you want to write the fixed topology as
well make sure you use the 'outprefix' keyword (see manual for
details).
-Dan
>
> If it helps, atom 6415 is the first K+ ion used to solvate and balance
> charge.
>
> Any suggestions?
>
> Thanks,
> Tom Pochapsky
>
>
>
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--
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Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
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Received on Fri Aug 12 2016 - 11:00:05 PDT
