[gmx-users] Problem in .gro file

faride badalkhani farideh.khamseh at gmail.com
Tue Jul 7 15:13:36 CEST 2015


Dear Justin,
This is the link you can find the prepared files:
http://www.4shared.com/zip/HpM1O820ce/FF_online.html

Truly yours,
Farideh

On Wed, Jul 1, 2015 at 2:57 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 6/30/15 6:12 PM, faride badalkhani wrote:
>
>> I cannot understand what do you mean with input and output coordinates?
>>
>
> You have said that your .pdb file is fine but the .gro file is wrong.  You
> need to provide those files so that I/we can understand what is going on.
>
>  I have attached the .gro, posre.itp and topol.top files.
>>
>
> The list does not accept attachments.  If I had a nickel for every time
> I've had to say that...
>
> Upload the files to a any file-sharing service you like and provide a URL.
>
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
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> University of Maryland, Baltimore
> 20 Penn St.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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