[gmx-users] Poisson-Boltzmann free energy in gromacs?

Justin A. Lemkul jalemkul at vt.edu
Sun Jul 17 02:35:43 CEST 2011



Sanku M wrote:
> Hi,
>   I was wondering whether, in gromacs,  there is any way of calculating 
> the electrostatic free energy using poisson Boltzmann equation. 

There is no mention of such a feature in the manual, so I would suspect the 
answer is no.

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



More information about the gromacs.org_gmx-users mailing list