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-- Ray Luo, Ph.D. Professor, Biochemistry, Molecular Biophysics, Chemical Physics, Chemical and Biomedical Engineering University of California, Irvine, CA 92697-3900 On Mon, Apr 13, 2015 at 10:24 AM, Jason Swails <jason.swails.gmail.com> wrote: > 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 > _______________________________________________ > AMBER-Developers mailing list > AMBER-Developers.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber-developers _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Mon Apr 13 2015 - 11:00:03 PDT