Re: [AMBER] You won't believe what happens with maximum coordination limits...

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Tue, 4 Apr 2017 15:50:27 +0100

On Tue, 4 Apr 2017 16:23:11 +0200
David Poole <thepoole.ucdavis.edu> wrote:

> Is there a hard-limit on the maximum coordination of an atom type?
> or is it possible to change this limit somewhere/someway else?

MAXBONDS in atom.h from the leap source unless it is hydrogen or
oxygen, see function bAtomCoordinationSaturated in atom.c

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Apr 04 2017 - 08:00:02 PDT
Custom Search