From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Mon Sep 05 2011 - 08:22:55 CDT
For the RMSD there are plenty of scripts. Search the archives or go through
the tutorials.
For the diffusion coefficients I found this today:
http://multiscalelab.org/utilities/DiffusionCoefficientTool
Haven't tested it yet.
PS: this is a is better suited question for the VMD mailing list.
Regards,
Ajasja
On Mon, Sep 5, 2011 at 15:15, Molecular Dynamics <
moleculardynamics_at_yahoo.com> wrote:
> Dear Namd users,
>
>
>
> Is there any script in VMD (tcl) that can calculate mean square
> displacement and D diffusion coefficient ?
>
>
> Anyone who has an idea to share with me, I would be appreciated.
>
>
> Thanks in advance
>
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