[gmx-users] Locally Enhanced Sampling

Ran Friedman ran at hemi.tau.ac.il
Sun Jan 15 14:05:05 CET 2006


You're probably better off with moil.


Alexandre Suman de Araujo wrote:

> Hi Gmxers!
> I´d like to perform some Locally Enhanced Sampling (LES) simulations 
> of a ligand in a protein and I´d like to know if it´s possible with 
> Gromacs and, if yes, what I need to do to implement this kind of 
> simulations.
> Thanks!

Ran Friedman
Laser Laboratory for Fast Reactions in Biology
Department of Biochemistry
Faculty of Life Sciences
Tel-Aviv University
Tel. +972-3-6409824
Fax. +972-3-6409875

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