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

From: Robert McAllen <mm229196@...7278...>
Date: Wed, 20 Dec 2017 19:37:01 +0330

Thanks, Axel.

But, I've already searched web thoroughly. All discussions are short and vague.

I'm seeking for anything like a lecture or movie, suitable for simply learning concept of PMF and Umbrella Sampling

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On Wed, Dec 20, 2017 at 7:09 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:

On Wed, Dec 20, 2017 at 10:13 AM, Robert McAllen <mm229196@...33....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:




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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.