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From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Apr 27 2012 - 18:30:21 CDT
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On Fri, Apr 27, 2012 at 6:23 PM, jampani srinivas <jampanis_at_gmail.com> wrote:
> Hello,
>
> I am trying to calculate the mean residence time of water in a specific
> shell from the center of system, i wonder if anybody has a handy tcl script
> to help me.
these kind of problems tend to be of a nature, that it is
far too much effort to write a generic script that can be
re-used. you are likely to have to bite the bullet and write
something on your own.
> I have looked at the following post but i was little confused on updating
> the selection and counting same water residues in frame by frame.
>
> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/7697.html
that is too vague a question. what *exactly* are you
confused about? perhaps you should post some
prototype/test code that you already have written
and people then can help to improve it.
> Your help is greatly appreciated.
no doubt about that.
axel.
> Thanks
> Srinivas.
>
> --
> *********************************************
> J. Srinivasa Rao
> Physics Dept, Drexel University
> 3141 Chestnut St, Philadelphia, PA 19104
> Ph: 215-895-1989
> **********************************************
>
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA.
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