Hello,
See the command "atomicfluct" in the AmberTools (or amber) manual. You may
have to install AmberTools-1.4 (available for free on ambermd.org) and use
the ptraj compiled there. I would suggest doing this regardless of whether
this functionality is available in the version of ptraj included in amber8.
Good luck!
Jason
On Sun, Jun 27, 2010 at 9:55 AM, REENU KHATTRI <ibi2008024.iiita.ac.in>wrote:
> hello sir i am a student and doing project in chimeric RNase A by AMBER 8
> .i
> have been calculated RMSD/TIME and plot the graph but sir i would like to
> know how to calculate RMSD per RESIDE WISE to actual knowing to
> fluctualation in my structures.please send me the script.
> thank you.
> Rinu Khattri
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 27 2010 - 08:00:03 PDT
