Hi,
Having benefited from the open-source nature of AmberTools, I would
like to contribute back some code/features I added for my research.
I wonder how this is best archived? via some git repo?
It concerns sander(QM/MM interface for Turbomole and xTB) and sqm (Grimme's
D3 and new H+ correction, both from GPL libraries so there might be license
issues to be resolved, too).
Not all is in a 'ready' stage yet, though. ;-)
Cheers,
Holger
--
Dr. Holger Kruse
Structure and Dynamics of Nucleic Acids
Institute of Biophysics, ASCR
http://www.researcherid.com/rid/D-3615-2009
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 31 2017 - 06:30:03 PDT
