[gmx-users] tpr file

[David van der Spoel]

Dhananjay 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 ?
> 
yes, unless you do something like rmsd calculation, then the reference 
should be carefully selected.
> 
> Thanking you in advance.....
> 
> 
> Dhananjay
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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