LES and minimalization

From: Sławek Orłowski (bigman_at_phys.uni.torun.pl)
Date: Tue Feb 21 2006 - 02:42:06 CST

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Hi,

I am using the LES (Locally Enhanced Sampling) method in my MD
simulation. I have a general question: Does LES has any influence on a
minimalization? Does minimalization alghoritm use a LES Hamiltonian?

TIA
Slawek Orlowski
Theorethical Molecular Biophysics Group
**Faculty of Physics, Astronomy and Informatics
Nicolaus Copernicus Univ. Poland

** <http://www.ks.uiuc.edu/Research/namd/2.5/ug/node35.html>

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