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

Justin Lemkul jalemkul at vt.edu
Mon Aug 12 19:55:58 CEST 2013

On 8/12/13 1:29 PM, Li, Hualin wrote:
> Hi Justin,
>      Thank you for your reply. I also suspect that they may use like " change pull source code -->recomplie GROMACS -->run modified mdrun ". Do you know where the source code of the pull code is located please?

It's in src/mdlib - pull.c and pullutil.c should have everything, if memory serves.



Justin A. Lemkul, Ph.D.
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


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