Re: [AMBER] MMPBSA Electrostatic energy

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 11 Nov 2015 11:52:28 -0500

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
Received on Wed Nov 11 2015 - 09:00:06 PST
Custom Search