[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
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