[gmx-users] restraint

[Mouri Ahmed]

Dear Dr. Justin,

Thank you very much for the help.

In the gromacs tutorial, protein and ligand are being pulled away from each
other.

In the pull_md.mdp file, which option I need to change to make them close?


Best Regards
Mouri

On Tue, Oct 25, 2016 at 8:54 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 10/25/16 5:24 AM, Mouri Ahmed wrote:
>
>> Hi
>>
>> I want to use distance restraint between protein and ligand in gromacs.
>>
>> I am confused with the problem.
>>
>> Anyone have any ideas?
>>
>>
> Use the pull code.
>
> -Justin
>
> --
> ==================================================
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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