[AMBER] Configurational bias Monte Carlo

From: Benjamin Haley <bhaley.purdue.edu>
Date: Fri, 01 Jun 2012 12:19:01 -0400

Hello,

    I want to create polymer chains and pack them into a volume,
adjusting torsion angles to minimize interactions with other chains
(and self-interaction within a chain). One method for doing this is
the configurational bias Monte Carlo sampling. Can this (or
something similar) be done in AMBER?

Thank you!
Ben Haley
Purdue University

-- 
======================================================================
Benjamin P. Haley, Purdue University   bhaley.purdue.edu  765-494-0276
Software Engineer, HUBzero, Rosen Center for Advanced Computing
Scientist, Center for Predictive Materials Modeling and Simulation
======================================================================
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Received on Fri Jun 01 2012 - 09:30:03 PDT