Hi,
It's not clear to me what you mean by 'feed some atom number to cpptraj'.
The atom and residue numbers do indeed wrap back to 1 due to the fixed
width of the fields in the PDB format, but cpptraj uses internal numbering
when reading in PDB files, so there shouldn't be a problem. I may be able
to provide more specific advice if you describe in detail exactly what you
are trying to do and whether you are getting an error or not.
-Dan
On Tue, Jul 22, 2014 at 6:02 PM, newamber list <newamberlist.gmail.com>
wrote:
> Hi All
>
> I have a pdb file obtained from cpptraj. One common problem with pdb is
> that resid or atom number restarts after 99999. So am just wondering would
> line number be a good way of using atom number which I want should be same
> as identified by cpptraj. I want to feed some atom number to cpptraj.
>
> Thanks
> JIom
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Tue Jul 22 2014 - 19:30:03 PDT
