[gmx-users] How to calculate protein-surface interaction energy

Justin Lemkul jalemkul at vt.edu
Sun Oct 19 02:59:41 CEST 2014

On 10/18/14 8:41 PM, James Lord wrote:
> Hi Justin,
> Thanks, apparently I am doing some silly mistakes as I checked for another
> system I have and ended up to the same problem. I am sending all the files
> to your personal email and then if the problem is solved I will send a post
> with description of the problem and the solution to the mailing list. Is
> that fine with you?

Please upload the files to a file sharing service and post the links.  That way, 
anyone on the list can contribute to helping you.



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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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