On Tue, Jan 25, 2011, Josh Berryman wrote:
> Before anyone tells me that I should have used "SPCFBOX" instead of "SPCBOX"
> (as suggested in the amberTools v1.4 manual, 2.10 "Solvent Models")...
OK...it's a typo, should be SPCFWBOX, which will indeed not include the H-H
bond in the waters.
I've added this to the errata list at
http://ambermd.org/doc11.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jan 25 2011 - 07:00:03 PST
