AMBER: increase in computational time with LES

From: Kenley Barrett <kenley.barrett.gmail.com>
Date: Sun, 23 Apr 2006 16:53:29 -0500

Dear AMBER community,

I am writing a proposal for a project in which I intend to use Locally
Enhanced Sampling. I don't have time to run preliminary simulations before
the proposal is due, but I need to estimate computational cost for the
project. What's a good way to estimate the increase in computational cost
caused by using LES?

Thank you in advance for any suggestions.

Kenley

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Received on Wed Apr 26 2006 - 06:07:05 PDT
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