VMD-L Mailing List

From: griadi_at_utalca.cl
Date: Fri Jul 28 2006 - 17:01:24 CDT

Hi Swarna,

In the script in attachment, replace the ### by the information from the RDF.tcl
In VMD load your .psf and .dcd and, in a Tk window go to the folder where you
saved your script. Then execute
source counting_waters.tcl
Hope it works.
Gonzalo.
Centro de Bioinformatica y Simulacion Molecular.

Mensaje citado por Swarna Patra <swarna_at_physics.usyd.edu.au>:

> Hi,
> Can you please tell me how to calculate the number of water molecules in the
>
> 1st hydration cell with respect to an ion. do you have a script for it or can
>
> you tell me how to do this.
> thanks
> swarna
>
>

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