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

[Sanku M]

I thought since the implicit solvent model has been invoked recently, there 
might be some features for PB calculation as well.



________________________________
From: Justin A. Lemkul <jalemkul at vt.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Sat, July 16, 2011 7:35:43 PM
Subject: Re: [gmx-users] Poisson-Boltzmann free energy in gromacs?



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

========================================
-- gmx-users mailing list    gmx-users at gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search 
before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or 
send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110716/7604d7a9/attachment.html>