[gmx-users] Fwd: Calculating nonbonded energy

Mark Abraham mark.j.abraham at gmail.com
Tue Sep 26 00:42:38 CEST 2017


There's no free lunch. If you want to calculate an energy then you need a
model physics - ie a topology. But even when you do, the distinction of
being part of the nonbonded interactions is physically meaningless, so I
would reconsider your approach.


On Sat, 23 Sep 2017 14:44 Mohan maruthi sena <maruthi.sena at gmail.com> wrote:

> Dear all,
>              I have generated dcd file using NAMD and converted the
> trajectory to .trr. I want to calculate nonbonded energy between two
> residues in my system. I do not have .edr file. Is there any other way to
> calculate nonbonded energy.
> --
> Thanks and Regards,
> Mohan Maruthi
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