[gmx-users] Clustering

dina dusti dinadusti at yahoo.com
Sun Apr 15 12:02:57 CEST 2012

Dear Erik,

Thank you very much from your response, but I want to calculate the radius of these cluster. I want to know that I should do clustering with trjconv -cluster similar with micelle clustering and then calculate the radius of these?

Best Regards

 From: Erik Marklund <erikm at xray.bmc.uu.se>
To: dina dusti <dinadusti at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Sunday, April 15, 2012 12:58 PM
Subject: Re: [gmx-users] Clustering

Try g_clustsize


15 apr 2012 kl. 09.00 skrev dina dusti:

Dear GROMACS Specialists,
>May I know about clustering, Please?
>I want cluster small organic molecules. Is it possible? They collected in some places together and they are separate in the other place.
>Please help me.
>Thank you very much in advance.
>Best Regards
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Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
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