Not all contributions are mine (although if I've forgotten any, it's likely
because they weren't :)
- sander API
- numerous ParmEd enhancements and significant parsing speed-ups
- chamber -> ParmEd, better support for CHARMM force field (particularly
NBFIX)
- pdb4amber improvements (e.g., can now use reduce, auto tautomer ID)
- major improvements to cpptraj (Dan can summarize any major bullet points)
- pytraj -- Python bindings to cpptraj
- pymsmt -- MCPB.py for modeling metal complexes
- Optimized nucleic acid GBneck2 parameters
- trivalent and tetravalent metal ion parameters and 12-6-4 monovalent ion
parameters
- Major sander cleanup
- gbnsr6 program for improved GB model in single-point calculations
- OPC water model
- Support for clang compiler and dragonegg GCC plugin
- Implicit membrane support in FEW and PBSA (although I think it's only
*new* in FEW)
Can't think of any more at the moment.
On Mon, Apr 13, 2015 at 1:02 PM, David A Case <case.biomaps.rutgers.edu>
wrote:
> Please send me short bullet points outlining significant changes in
> AmberTools
> 15 (vs AmberTools14). I will collect these into info for the web site and
> for
> the release announcement.
>
> ....thx...dave
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Apr 13 2015 - 10:30:10 PDT
