[gmx-users] trjconv keeps asking for tpr
tsjerkw at gmail.com
Fri Jan 6 09:15:06 CET 2012
The .tpr file is needed for the atom and residue names and numbers.
Coordinates are read from the trajectory.
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?
> Peter C. Lai | University of Alabama-Birmingham
> Programmer/Analyst | KAUL 752A
> Genetics, Div. of Research | 705 South 20th Street
> pcl at uab.edu | Birmingham AL 35294-4461
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Tsjerk A. Wassenaar, Ph.D.
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
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