On Wed, Sep 21, 2016 at 5:15 AM, Hirdesh Kumar <hirdesh.iitd.gmail.com>
wrote:
> Hi,
> I used MMPBSA to calculate the binding free energy of my protein-protein
> complexes. All went well and I got the difference in energy. However, I
> would like to print the energies for each frame.
>
> How can I do that?
>
​Check out the "-eo" flag, which dumps this data to a CSV file.
HTH,
Jason
--
Jason M. Swails
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Received on Wed Sep 21 2016 - 07:00:03 PDT
