[gmx-users] Generalized born parameters

Semen Esilevsky yesint4 at yahoo.com
Thu Nov 30 09:29:14 CET 2006


Yes, that is exactly what I was asking about!

--- Ran Friedman <r.friedman at bioc.unizh.ch> wrote:

> There was a paper from the Groningen group with
> Barry Honig about
> implicit solvent simulations, where several GB
> models were implemented
> in Gromacs. Are those available?
> 
> David van der Spoel wrote:
> > Semen Esilevsky wrote:
> >> Dear colleagues,
> >> I've searched the archives to find some
> information
> >> about the Generalized born models implemented in
> 3.3,
> >> but have found only the questions and no answers.
> >> I'm using custom software, which uses gromacs
> >> topologies and force fields, so I'm interested in
> the
> >> parameters for GB used in gromacs. Unfortunately
> I
> >> didn't find them. Could somebody point me to the
> correct file?
> > there are none.
> >
> 
> 
> -- 
>
------------------------------------------------------
> Ran Friedman
> Postdoctoral Fellow
> Computational Structural Biology Group (A. Caflisch)
> Department of Biochemistry
> University of Zurich
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> Tel. +41-44-6355593
> Email: r.friedman at bioc.unizh.ch
> Skype: ran.friedman
>
------------------------------------------------------
> 
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