[gmx-users] g_energy (energygrps)
mark.j.abraham at gmail.com
Tue Mar 11 14:32:43 CET 2014
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
Probably. Try it and see.
> what command and options I should use to obtain?
mdrun -rerun the.trr -s the.tpr
> Best wishes
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users