[gmx-users] genion error sol not continuous

Justin Lemkul jalemkul at vt.edu
Fri May 15 23:22:03 CEST 2015

On 5/15/15 4:53 PM, James Lord wrote:
> Hi Justin,
> Thanks for your email. I have modified it and the topology looks fine to me or
> at least I can't see any problem with it but still genion does not like it?
> Would please have a look?
> https://drive.google.com/file/d/0B0YMTXH1gmQsSl9KbWhXaWJKc1k/view?usp=sharing
> https://drive.google.com/file/d/0B0YMTXH1gmQsMjlMTlNPeWJqdkk/view?usp=sharing

I don't know what I'm supposed to be looking at, and without the chain 
topologies it's impossible to troubleshoot.  Please upload a *complete* archive 
(.tgz) of all files (coordinates, topologies - .top and .itp, force field, etc) 
needed to execute grompp to reproduce the problem.  Also provide the exact 
command you're issuing.



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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