yes - see the imin=5 option in the manual.
On Wed, Jan 31, 2018 at 11:20 AM, Shamsi, Zahra <zshamsi2.illinois.edu>
wrote:
> Hi,
> I ran MD simulation and got mdout files which have information about
> potential energies.
> By mistake, I've removed all mdout files, and now want to get the total
> potential and dihedral energies.
> Is there any way to calculate them from the trajectory files?
>
> Thank you,
>
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Received on Wed Jan 31 2018 - 09:00:02 PST
