From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri May 04 2007 - 10:12:22 CDT
This procedure is demonstrated in the NAMD tutorial under analysis for
individual residues; see, for example,
http://www.ks.uiuc.edu/Training/Tutorials/namd/namd-tutorial-unix-html/node13.html#SECTION00051100000000000000.
Peter
priti arora wrote:
>
>
> Hi all
>
> Can anyone tell me how to analyse the dcd trajectory file for
> calculating/plotting the Average RMSD values during the simulation
> versus amino acid residues in the file in order to know which residues
> are deviating by greater extent.
> --
> Thanks and regards,
>
> Priti Arora
> MSc in Drug Delivery
> School of Pharmacy
> University of London
> Tel: +44 7983024922 (Mob)
> +44 2072895561 (Hm)
> +44 2077535923 (Lab)
>
> --
> Thanks and regards,
>
> Priti Arora
> MSc in Drug Delivery
> School of Pharmacy
> University of London
> Tel: +44 7983024922 (Mob)
> +44 2072895561 (Hm)
> +44 2077535923 (Lab)
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