[gmx-users] convert .tpr to include energy groups

[Tushar Ranjan Moharana]

Thanks a lot Justin.

On Wed, Aug 9, 2017 at 1:33 AM, Tushar Ranjan Moharana <
tusharranjanmoharana at gmail.com> wrote:

> Hi All,
> I want to calculate interaction between 2 energy groups, which were not
> defined during the run. So I want to rerun and include both the energy
> groups while rerunning. This can be easily done by again assembling .tpr
> file from .gro, .top and .cpt file by grompp, but I donot have the .gro and
> .cpt file, which I used to compile the original .tpr file. I have topology
> file and run input (.tpr) file and the new trajectory obtained after
> running .tpr file.
>
> Can I convert old .tpr to include energy groups or can I get .cpt and .gro
> used to compile the .tpr file?
>
> I have run many simulation and by mistake the .gro and .cpt file got
> overridden. Kindly suggest if there is any way to achieve the above
> things.
>
> Thanks a lot.
>
>
>
> "A society with free knowledge is better than a society with free food"
> --
> Tushar Ranjan Moharana
> B. Tech, NIT Warangal
> Ph D Student, CCMB
>



-- 
Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB