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

Tushar Ranjan Moharana tusharranjanmoharana at gmail.com
Tue Aug 8 22:04:00 CEST 2017

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

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

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