Hi Every body!
Is this a convenient way to do staged simulations(?):
First Doing an implicit solvent simulation to find the most stable structure of a molecule then put this
stable structure in explicit solvent to find the most stable structure in explicit solvent?
in the other words,the last structure of implicit solvent simulation be the initial structure (as a good prediction)
of explicit solvent simulations?
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Received on Tue Feb 28 2012 - 06:00:02 PST
