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 your system must have ratio of Water:Urea = 6.9375:1 (what
i understood from the logic of calculation) for 8m Urea concentration (Plz
note urea concentration is usually taken in molal not in molar..be careful!)
You can start with the default urea+h2o.gro file of gromacs which has
concentration of 6m...and do some editing according to your desired
concentration followed by density adjustment and equilibrate it for sometime
thats it.
with regards
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