[gmx-users] Implicit solvent simulation

Stéphane Téletchéa steletch at jouy.inra.fr
Mon Jul 16 14:59:53 CEST 2007

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".


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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