I am sorry for not making it clear.
I meant that if electrostatic energy value is zero that the results I am
getting are not valid/correct?
And if the results are with zero value of EEL, then is there a problem?
No, I am not using a solvent.
For more clarity, I am attaching my results file.
Best regards,
Asma
On Wed, Nov 11, 2015 at 9:52 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Wed, Nov 11, 2015 at 11:49 AM, Asma Abro 28-FBAS/MSBI/F09 <
> asma.msbi28.iiu.edu.pk> wrote:
>
> > And if it is the case, then that means the results of MMPBSA are not
> valid?
> >
>
> I don't know what "it is the case" means. Nor do I know what "valid"
> means in this context.
>
> MMPBSA is an approximation, but it is a very well-described (and rather
> popular) one.
>
>
>
> > What do you think maybe the problem?
>
>
> It is not clear to me that there *is* a problem.
>
>
>
> > For getting improved and better
> > results, do we need to change the dielectric constant value?
> >
>
> Are you using a solvent besides water? If not, then "no".
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 11 2015 - 09:00:07 PST
