Hello All,
Thank you very much for your suggestions. I think I have understood it..
Thanks a lot.. :)
Regards,
Monika
On Fri, 5 Sep 2008, Anil Kumar wrote:
As Peter has said you have to maintain the ratio of water molecule with
respect to urea to get the desired concentration.
So, in your case
> *Sent:* Thu 9/4/2008 2:51 PM
> *To:* gmx-users@gromacs.org
> *Subject:* [gmx-users] Concentration of Urea in urea solvation box
>
> Hi All,
> This is a trivial question. But I am quite puzzled about it, and I
> really need someone's kind help.
>
> I want to prepare
of [EMAIL PROTECTED]
Sent: Thu 9/4/2008 2:51 PM
To: gmx-users@gromacs.org
Subject: [gmx-users] Concentration of Urea in urea solvation box
Hi All,
This is a trivial question. But I am quite puzzled about it, and I
really need someone's kind help.
I want to prepare 8M urea solution box
The following reference has a table with the number of water and urea
molecules for a given molarity, at a given temperature:
Stumpe and Grubmuller, J. Phys. Chem. B. 2007, 111, 6220-6228.
Roughly, a 4.5:1 ratio of water:urea molecules will give you 8M urea.
This varies somewhat with temperature
Hi All,
This is a trivial question. But I am quite puzzled about it, and I
really need someone's kind help.
I want to prepare 8M urea solution box,
for which I might need to know input as number of water molecules and of
urea. Now my query is how to make sure of these exact number of molecule
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