AMBER Archive (2008)

Subject: AMBER: Solvent mixture box

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Sun May 11 2008 - 12:04:52 CDT

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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