That's fixed it, thanks. Now all I have to do is try and remember why I
needed SPCF in the first place.
Josh
On Tue, Jan 25, 2011 at 3:51 PM, case <case.biomaps.rutgers.edu> wrote:
> 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
>
>
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Received on Mon Jan 31 2011 - 03:00:02 PST
