[gmx-users] Generating_tpr_file from.xtc

[Tsjerk Wassenaar]

Hi Shahid,

You probably have a matching .top file lying around? You can use it
with the .gro file to regenerate the .tpr. Note that most analysis can
also be run with a .gro/.pdb file.

Cheers,

Tsjerk

On Tue, May 15, 2012 at 4:30 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 5/15/12 10:28 AM, shahid nayeem wrote:
>>
>> Dear users
>> By mistake I have deleted my .tpr file after running simulation. Is it
>> possible
>> to generate .tpr file from .xtc .gro .log and .ene file of final
>> production run.
>
>
> No.  None of those files have the required topology information.
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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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