[gmx-users] trjconv keeps asking for tpr

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Jan 6 09:15:06 CET 2012


Hi Peter,

The .tpr file is needed for the atom and residue names and numbers.
Coordinates are read from the trajectory.

Cheers,

Tsjerk

On Fri, Jan 6, 2012 at 9:13 AM, Peter C. Lai <pcl at uab.edu> wrote:
>
> On 2012-01-06 02:10:49AM -0600, Peter C. Lai wrote:
>> In gromacs 4.5.4, trjconv keeps asking for a .tpr file even for things like
>> -dump. Is this expected? Will it "screw up" the output if I am trying to dump
>> an already modified .xtc (like having used -center)?
> Err, I mean can I give it the .tpr that started the run? Will it still dump
> the recentered trajectory properly?
>
> --
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands



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