[gmx-users] NMR restrained MD

[Justin Lemkul]

On 9/10/13 4:35 PM, Rama Krishna Koppisetti wrote:
> H
> i Justin,
>
> The force field that I constructed with OPLS + Berger lipids
> .
> Similar to
> your Bilayer tutorial.
>

Presumably you are following Chris Neale's half-epsilon, double pairlist method 
then?  In any case, you're defining the same interaction multiple times using 
different parameters.  Something has gone wrong somewhere along the way.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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