[gmx-users] dihedral calculation

[Parvez Mh]

Thanks Dr. Lemkul

Regards
Masrul

On Fri, Oct 9, 2015 at 5:08 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 10/9/15 6:06 PM, Parvez Mh wrote:
>
>> Dear all,
>>
>> I want to measure dihedral angle of a particluar dihedral over all time
>> steps. I see in gromacs that g_angle can calculate the distribution of
>> dihedral but not the exact angle measurement. Is there any option in
>> gromacs to measure dihedral over the all time steps.
>>
>>
> Option -ov does this.  Add -all if analyzing multiple dihedral
> simultaneously.
>
> -Justin
>
> --
> ==================================================
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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> Department of Pharmaceutical Sciences
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> University of Maryland, Baltimore
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
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