[gmx-users] Implement a modified pull module to mdrun

[Justin Lemkul]

On 8/12/13 2:13 PM, Li, Hualin wrote:
> Hi Justin,
>
>     Thanks a lot. I found them. Other than changing the source code, is it possible to write a script-like code to run with mdrun in order to apply this wall potential please?
>

Doubtful.  Again, I would try to get in contact with the authors of whatever 
study you read and see what they did.  They will probably even give you their 
code so you don't have to do any new modifications.

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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