Re: [AMBER] atom number same as line number for cpptraj

From: Daniel Roe <>
Date: Tue, 22 Jul 2014 20:12:25 -0600


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.


On Tue, Jul 22, 2014 at 6:02 PM, newamber list <>

> 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
> _______________________________________________
> AMBER mailing list

Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Jul 22 2014 - 19:30:03 PDT
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