[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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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