[gmx-users] Verlet cut-off with shell

[Justin Lemkul]

On 4/20/14, 10:45 AM, Mikhail Stukan wrote:
> Dear all,
>
> I was trying to submit a run for polarizable liquid using Verlet cut-off scheme. Compilation passed successfully,  however, after the submission the job crashed with error message "Shell code does not work with the Verlet cut-off scheme".  Am I doing something I am not supposed to do?
>

Yes, hence the fatal error :)

The shell code under the Verlet scheme is buggy, so it has been explicitly 
disabled until the code is fixed.  Use the group scheme, instead.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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