CCL: Ergodicity check for biomolecular simulation !
- From: "Pradipta Bandyopadhyay"
<pradipta%%iitg.ernet.in>
- Subject: CCL: Ergodicity check for biomolecular simulation !
- Date: Tue, 30 May 2006 19:01:28 +0530 (IST)
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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