Re: [AMBER] Adding buffer and salt

From: Indrajit Deb <biky2004indra.gmail.com>
Date: Thu, 7 Feb 2013 16:16:00 +0530

I found in the archive that there is perl script by Thomas Cheatham that
computes the number of necessary molecules from a given volume.

http://archive.ambermd.org/201004/0449.html


But I am not getting the script. can any one provide me the script ?

thanks




---------------------------------------------------------------------
Indrajit Deb
Kolkata, India.
Mob: +919239202278


On Thu, Feb 7, 2013 at 1:53 PM, Indrajit Deb <biky2004indra.gmail.com>wrote:

> Dear Amber Users,
>
> I have a small nucleic acid system that I want to simulate.
>
> 1 mM of this system is in 0.7 ml 25 mM phosphate buffer, pH 7.0,
> containing 25 mM NaCl, 10 mM MgCl2 and 0.2 mM EDTA for NMR study.
>
> I want to prepare same experimental setup for my system.
>
> Can anyone guide me how to start !
>
> Thnaks in advance
>
> Sincerely
>
> --indrajit
>
>
>
>
>
>
>
> ---------------------------------------------------------------------
> Indrajit Deb
> Kolkata, India.
> Mob: +919239202278
>
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Received on Thu Feb 07 2013 - 03:00:03 PST
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