Re: [AMBER] Is there anyway to recover the potential energies obtained after running md

From: Alberto Bencomo <>
Date: Wed, 31 Jan 2018 09:39:44 -0700

If you do not delete your .edr file then use this:
g_energy -f md_0_1_rerun.edr -o zenergy.xvg

If you delete the .edr file check if you have your .tpr, .xtc, .gro, and
.trr file???
Best regards

2018-01-31 9:20 GMT-07:00 Shamsi, Zahra <>:

> 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
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