Thank you that was helpful
On Wed, Oct 26, 2016 at 5:13 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> On Wed, Oct 26, 2016 at 2:27 PM, Aishani Prem <aishaniprem.gmail.com>
> wrote:
>
> > Hi All,
> > I ran MD calculations on a set of protein mutants in generalized
> born
> > model. I want to know if there is any way I can calculate the van der
> waals
> > and electrostactic energy using cpptraj?
> >
>
> hi,
>
> If you also like working with Python, you can access cpptraj and sander via
> pytraj (already in AmberTools)
> I made a tutorial here:
> http://amber-md.github.io/pytraj/release/1.0.4/tutorials/energy_
> decomposition.html
>
> cheers
> Hai
>
>
> >
> > --
> > Thank You and Regards,
> > Aishani Chittoor Prem
> > _______________________________________________
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> >
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--
Thank You and Regards,
Aishani Chittoor Prem
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Received on Wed Oct 26 2016 - 18:00:03 PDT
