[gmx-users] biased potential in Gromacs

Ran Friedman r.friedman at bioc.uzh.ch
Mon Sep 3 17:46:42 CEST 2007


Dear Argyrios,

You may want to check the flooding option.

Ran.


Argyrios Karatrantos wrote:
> Hi everybody, 
>
> i am working in vapor-liquid phase transitions of polyelectrolyte solutions
>
> is it possible to use a biased potential functon in Gromacs in order to 
> overcome the free energy barrier between liquid-vapor phases?
>
> if yes, how this can be implemented in gromacs?
>
> thanks, in advance all of the people for their help.
>
>
>
>
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-- 
------------------------------------------------------
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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