Dear AMBER users;
I want to solvate my system with solvent, which is not in solvents library.
I read in archive that we can solvate with single molecule also,
instead of using box... but care should be taken for equilibration...
So please suggest what should I do i.e. use single molecule to solvate
or create solvent box?how to decide this and how it can effect final
result?
thanks;
Jiomm
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Received on Sun Nov 08 2009 - 06:30:06 PST
