AMBER Archive (2009)

Subject: [AMBER] solvent

From: Jio M (jiomm_at_yahoo.com)
Date: Sun Nov 08 2009 - 08:12:34 CST

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

      
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber