[gmx-users] Implicit solvent simulation

[SeungPyo Hong]

Thank you for your kind reply, Stephane.
Anyhow it is a little disappointing that Generalized-Born is not implemented
in Gromacs.

Sincerely,
Seungpyo Hong

On 7/16/07, Stéphane Téletchéa <steletch at jouy.inra.fr> wrote:
>
> SeungPyo Hong a écrit :
> > Dear gmx-users,
> >
> > Recently I want to perform MD for protein with implicit solvent model.
> > Gromacs does not seem to support it.
> > Could you let me know where to find information about implicit solvent
> > simulation with Gromacs?
> > Also I will be glad if you tell me your opinion about the implicit
> > solvent simulation to protein.
> >
> > Thank you.
> >
>
> There is no Generalised-Born approach implemented (at least available)
> but you may consider reaction field. See chapter 7, paragraph
> "Electrostatics and VdW".
>
> Cheers,
> Stéphane
>
> --
> Stéphane Téletchéa, PhD.                  http://www.steletch.org
> Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
> INRA, Domaine de Vilvert                  Tél : (33) 134 652 891
> 78352 Jouy-en-Josas cedex, France         Fax : (33) 134 652 901
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