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Re: [lammps-users] Umbrella Sampling/ PMF
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Re: [lammps-users] Umbrella Sampling/ PMF


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 20 Dec 2017 10:39:53 -0500



On Wed, Dec 20, 2017 at 10:13 AM, Robert McAllen <mm229196@...7278...> wrote:
Dear users

Could anybody introduce an illustrative text for concept of
Umbrella Sampling and Potential of Mean Force

What is the physical meaning underlying those?
How are they calculated? 

​i think this is a discussion that you should have with your adviser/supervisor.

...and if you've been a nice person, you might ask santa's little helpers to have him stuff something like this into your stockings: http://www.springer.com/us/book/9783540384472

​axel.​


 

Bests




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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.