From owner-chemistry@ccl.net Tue May 30 09:46:00 2006
From: "Pradipta Bandyopadhyay pradipta]~[iitg.ernet.in" <owner-chemistry:_:server.ccl.net>
To: CCL
Subject: CCL: Ergodicity check for biomolecular simulation !
Message-Id: <-31865-060530093227-32462-ETImp6Ur5gQD+z2RUdVkjA:_:server.ccl.net>
X-Original-From: "Pradipta Bandyopadhyay" <pradipta%%iitg.ernet.in>
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Date: Tue, 30 May 2006 19:01:28 +0530 (IST)
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Sent to CCL by: "Pradipta Bandyopadhyay" [pradipta*iitg.ernet.in]

Hi,

 I am looking for references which deal with testing ergodicity of
biomolecular simulations and/or checking the 'overlap' of two different
trajectories for same system.

  For liquid simulations, I know of Mountain and Thirumalai paper (J.
Phys. Chem., 93, 6975, 1989).

Is there any similar paper for protein simulations?

Thanks,

 Pradipta




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