Hi John,
There are parameters available for methanol
1)
http://www.pharmacy.manchester.ac.uk/bryce/amber
2) you could use RESP method of cornell and fyd tool.
3) $AMBERHOME//dat/leap/lib/solvents.lib has param for methanol and water
(TIP3P,SPC)
thanks,
ganesh
On Fri, Apr 9, 2010 at 11:41 AM, Beale, John <John.Beale.stlcop.edu> wrote:
> I need to simulate a protein in a solvent of 60% methanol/40% water.
> Does anyone on this list have parameters for this solvent?
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> Thanks!
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> John
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Received on Fri Apr 09 2010 - 09:00:10 PDT
