AMBER Archive (2006)

Subject: AMBER: increase in computational time with LES

From: Kenley Barrett (kenley.barrett_at_gmail.com)
Date: Sun Apr 23 2006 - 16:53:29 CDT

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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