[gmx-users] tpr file

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Apr 24 15:05:55 CEST 2006

Hi Dhananjay,

Basically, you can choose whichever tpr file you like. If you just want to
have the information about bonds, angles, etc, it's all the same. However,
if you want to relate your frames to a given reference (e.g. for calculating
the RMSD), it will matter. Which one you'll have to choose then, is up to
you to decide.



On 4/24/06, Dhananjay <dhananjay.c.joshi at gmail.com> wrote:
> Hello all,
> Using trjcat I have joined  3  *.trr files and got final *.trr file.
> How to get/genetare corresponding *.tpr file ?
> According to manual, the tpr file extension stands for portable binary run
> input file. This file contains the starting structure of your simulation,
> the molecular topology and all the simulation parameters.......
> Do it mean that out of  3 *.tpr files (which are corresponding to above
> *.trr file that I joined) I can take any one ?
> Thanking you in advance.....
> Dhananjay
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Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336
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