VMD-L Mailing List
From: Bogdan Costescu (bcostescu_at_gmail.com)
Date: Wed Dec 28 2011 - 07:01:39 CST
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On Tue, Dec 27, 2011 at 22:38, J. Matthew Franklin <frank131_at_msu.edu> wrote:
> Hi,
>
> I want to generate pdb files for every 100 frames of a simulation.
> I have the .xtc file for the simulation, but to my knowledge, this only
> contains coordinates and not enough information to generate a pdb.
XTC files are normally generated by GROMACS. Why don't you use the
GROMACS tool for this job: trjconv ? It requires a PDB/GRO/TPR file to
provide atom information.
Cheers,
Bogdan
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