[AMBER] how to prepare a system with solvent of ethanol + water ?

From: vasu mathi <vasuphy.yahoo.co.in>
Date: Fri, 30 Jul 2010 15:36:37 +0530 (IST)

 Dear Amber,

I want to do a simulation of a biomolecule in a mixed solvent of ethanol and water. Can anyone tell how do I go about this? From the previous amber mailing list I found that first I have to create an ethanol box and equilibrate it before solvating the biomolecule. I would appreciate if someone has done this already and provide the ethanol box library file. Also how do I prepare a system with a solvent of x% of ethanol + (1-x) % of water ?
Thanks for any directions in advance.



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Received on Fri Jul 30 2010 - 03:30:03 PDT
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