Thanks Jason..
**
On Wed, Sep 21, 2016 at 3:46 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> 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 - 07:30:03 PDT
