[gmx-users] g_energy (energygrps)

[Mark Abraham]

On Tue, Mar 11, 2014 at 2:03 PM, Atila Petrosian
<atila.petrosian at gmail.com>wrote:

> On the other hand, I want to have interaction energy related to
> chain_a - chain_b
> chain_a - chain_c
> chain_b - chain_c
>
> Should I have new mdp file containing energygrps =  chain_a  chain_b
> chain_c?
>

Probably. Try it and see.


>
> what command and options I should use to obtain?
>

mdrun -rerun the.trr -s the.tpr

Mark


>
>
> Best wishes
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