May I ask about the correct procedure in xleap (Amber9 as to now, soon Amber10) to build equilibrated boxes for solvent mixtures of various composition? Are the polarizable models available at
http://www.pharmacy.manchester.ac.uk/bryce/amber/
adequate to mix with TIP3P or other validated model for water?
Thanks
francesco pietra
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Received on Wed May 14 2008 - 06:07:09 PDT
