RE: AMBER: A few questions in the protein unfolding simulations using GB model

From: Bill Ross <>
Date: Wed, 28 Jan 2004 10:22:55 -0800 (PST)

> For me time passed for molecular dynamic simulation is proportional to
> degrees of liberty of your system. Therefore is not a simple multiplication
> per two.

Good point - pairlist generation is order N^2, so looking
at that component of the time might explain it.


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Received on Wed Jan 28 2004 - 18:53:02 PST
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