Hi,
For the coarse-grain MD stuff that I'm experimenting with AMBER, I
actually need set chngmask=0 to prevent this subroutine from rebuilding
the exclused atom list or equivalently bypass some lines of code in the
end.
Regards,
Guanglei
David A. Case wrote:
> This should probably be more clearly explained in the manual. Or, maybe we
> should eliminate CHNGMASK as an input variable(?). I don't know of anyone who
> has ever used anything but the default value, and I would not be at all
> surprised in things broke if you tried setting this to zero.
>
> ...regards...dac
>
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Received on Fri Apr 22 2005 - 15:53:00 PDT
