[gmx-users] distance calculation

[tarak karmakar]

Thanks Justin.

But in my case I want to plot the distance between one  atom in the
backbone of the protein and other atom present in the ligand. Then how
can I specify these two atoms I need for plotting the distance between
them.


On Thu, Sep 20, 2012 at 12:26 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> 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
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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-- 
Tarak