[gmx-users] genion error sol not continuous

[James Lord]

Thanks Justin problem solved.
Cheers
James

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
>> 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
>
> --
> ==================================================
>
> 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
> http://mackerell.umaryland.edu/~jalemkul
>
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