Dear Stephane,
Thank you very much. I am trying it. If I have any
problem, I will let you know. Thank you once again.
Sanjib Paul
On Fri, Nov 29, 2013 at 6:39 PM, ABEL Stephane 175950
<Stephane.ABEL.cea.fr>wrote:
> in addition to my previous message, you can got the last version of the
> code here
>
> https://sites.google.com/a/electrostatics.fr/trjvoronoi/home
>
>
>
> --------
> Stéphane Abel, PhD
> CEA Saclay DSV/IbItec-S/SB2SM & CNRS UMR 8221
> Bat 528 Porte 11
> Gif-sur-Yvette, F-91191 FRANCE
> Phone (portable) : +33 6 49 37 70 60
> ________________________________________
> De : ABEL Stephane 175950
> Date d'envoi : vendredi 29 novembre 2013 14:05
> À : AMBER Mailing List
> Objet : [PROVENANCE INTERNET] [AMBER] RE : Volume calculation
>
> hello,
>
> you can try a tool developped by our lab called "trjvoronoi" to do what
> you want. However, you will need to convert your Amber trajectory file
> into dcd. please contact me "off-list' if you are interested
>
> best
>
> --------
> Stéphane Abel, PhD
> CEA Saclay DSV/IbItec-S/SB2SM & CNRS UMR 8221
> Bat 528 Porte 11
> Gif-sur-Yvette, F-91191 FRANCE
> Phone (portable) : +33 6 49 37 70 60
> ________________________________________
> De : Sanjib Paul [sanjib88paul.gmail.com]
> Date d'envoi : vendredi 29 novembre 2013 13:47
> À : AMBER Mailing List
> Objet : [AMBER] Volume calculation
>
> Dear Amber Users and Developers,
> How to calculate volume of a
> specific portion of a system? I want to calculate volume occupied by a
> amino acid side chain of my system. Voronoi tessellation is a useful method
> to calculate the volume. I have got many things on net about voronoi
> tessellation, but not any useful algorithm, using which I can get volume vs
> time of my AMBER trajectory. So, can anyone please give me any hint or link
> from which I can overcome my problem.
>
> Thanking you.
>
> Sanjib Paul
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Received on Fri Nov 29 2013 - 07:00:03 PST
