Yes, when we are doing the relative studies, entropy can be neglected
On Tue, Nov 3, 2015 at 2:35 PM, Marc Zhang <marczhang_md.zoho.com> wrote:
> Dear amber users group
>
>
>
> I would like to know the entropic term can be neglected under which
> conditions during MMPBSA calculation?
>
>
>
> Can I neglect the term when calculating the binding free energies of
> different ligands to the same protein?
>
>
>
> Thanks a lot for your help!
>
>
>
> Cheers
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
--
SUNITA GUPTA
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 03 2015 - 02:00:03 PST