[gmx-users] Selection/modifying tpr file

[Dallas Warren]

You need to rebuild the tpr file using gmx grompp instead, adjusting the
input into it as required (i.e. changing molecules in the input coordinate
file to a subset) to get the output tpr needed.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Sun, 19 Jan 2020 at 21:24, Roshan Shrestha <roshanpra at gmail.com> wrote:

> Dear all,
>               I have a large system, but I want to extract only certain
> information from the tpr like make certain selection using index file. Is
> there any way I can extract certain information from the tpr file and save
> it as another tpr file? Thanks
>
> With best regards
> --
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