It may take some scripting to do exactly what you want, but the distance
command in ptraj will measure distances for you.
On Wed, Dec 1, 2010 at 10:39 AM, Beale, John <John.Beale.stlcop.edu> wrote:
>
> >From a simulation, I would like to compute the distances between amino
> acid residues that are close in space but not directly bonded. Can anyone
> tell me if they have a way to do this for all possible contacts in a protein
> molecule?
>
> Thanks!
>
> John
>
>
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Dec 01 2010 - 09:00:05 PST
