On Wed, Sep 09, 2009, Loeffler, Hannes (STFC,DL,CSE) wrote:
>
> I have used parmchk (AmberTools 1.2) to check for missing parameters
> (gaff) in a cyclo hexen derivative and got a few dihedrals within the
> ring reported as missing. What puzzles me is that PK has been set to
> zero for all of them. My understanding is that this would lead to zero
> energy (and zero forces) which doesn't make sense to me. Is there a
> reason why parmchk sets them to zero?
The zero is just a place holder, to show you where the "real" result should
go.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 14 2009 - 13:37:41 PDT
