[gmx-users] dihedral calculation
parvezmh89 at gmail.com
Sat Oct 10 00:47:29 CEST 2015
Thanks Dr. Lemkul
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
> 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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