[gmx-users] distance calculation

Justin Lemkul jalemkul at vt.edu
Wed Sep 19 20:56:10 CEST 2012

On 9/19/12 2:55 PM, tarak karmakar wrote:
> Dear All,
> I want to calculate the distance between the nitrogen atom present in
> the ligand and the H- attached to the backbone of the protein along a
> long trajectory. So can anyone suggest me how to consider these two
> atoms to calculate and plot the distance along with the time ?

g_dist with appropriate index groups.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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