On Tue, Jul 18, 2017 at 8:56 PM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
>
> Cpptraj can take .trr files as input but I was wondering whether the
> residue numbering is taken into account when using a pdb as topology file.
Cpptraj should be able to handle 'wrapped' atom/residue numbering in
PDBs. Let me know if this is not the case.
-Dan
>
> Thanks,
> Neha
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Vice Chancellor's Research Fellow,
> Queensland University of Technology,
> 2 George Street, Brisbane, QLD 4000
> Australia
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Jul 20 2017 - 06:30:04 PDT
