Dear All,
I want to create a simulation box with ionic
concentration(Na+ and Cl-) in SPC/E. But as soon as I try to add large
number of ions(more than 700mM concentration) ions gets out of the
waterbox, in some case quite far from waterbox. Is there anyway to
prevent this?
Thanks
Hemant Kumar
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Dec 21 2011 - 02:00:03 PST