AMBER Archive (2005)

Subject: Re: AMBER: intramolecular nonbonded interactions in AMBER force field

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Fri Apr 22 2005 - 08:52:53 CDT

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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