RE: free energy methods cheat-sheet/comparison chart

From: Dale l. Schruben (
Date: Mon Mar 25 2013 - 21:06:22 CDT

This is an excellent project and the outcome of good classes and studies in MD. Please, I would like to see the results of this effort, even if it just a summary of short phrases of pluses and minuses. Dale


From: on behalf of Thomas C. Bishop
Sent: Mon 3/25/2013 2:56 PM
To: JC Gumbart
Subject: Re: namd-l: free energy methods cheat-sheet/comparison chart

This is for a molecular dynamics class I'm doing. The question has come
up "What's pro/con of diff methods and which works best when & where."

Aron gave an excellent start.
It would be great for experts to offer input and I"ll try to organize
into something useful.


On 03/25/2013 02:50 PM, JC Gumbart wrote:
> What are you trying to calculate specifically?
> On Mar 25, 2013, at 2:49 PM, Thomas C. Bishop wrote:
>> Does anyone happen to have a "cheat-sheet" with the pros and cons of the diff free-energy methods or a review that provides this information.
>> Thanks in advance,
>> TOm
>> --
>> *******************************
>> Thomas C. Bishop
>> Tel: 318-257-5209
>> Fax: 318-257-3823
>> ********************************

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