[gmx-users] genion error sol not continuous
jjamesgreen110 at gmail.com
Sat May 16 05:42:35 CEST 2015
Thanks Justin problem solved.
On Sat, May 16, 2015 at 9:21 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
>> Would please have a look?
> 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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