Hi GROMACS users, The first beta release of GROMACS 2020 is available!
We are making this available to you to get an early taste of how GROMACS 2020 will look and work, and most importantly to get feedback from you about how well things work. While we try our hardest to keep the quality of GROMACS as high as possible, we’re human, we overlook things while doing other things, and we need your many pairs of eyes to help build a tool that we can all use to do good science! We really need you to test your kinds of simulation on your hardware, both for correctness and performance. This is particularly important if you are using "interesting" hardware or compilers, because we can't test all of them! Please do not use this version for doing science you plan to publish - it needs more testing before it’s reliable enough for that. Similarly, please don’t use this version as a base for a project that bundles or forks GROMACS. What new things can you expect? (See the release notes for more details.) * Modular simulator for running a number of default simulations. * Improved support for gmxapi Python API, version 0.1.0 * Ability to run density guided simulations. There’s lots of other new things, and a few old things removed - please see the release notes for the complete list. All the content of GROMACS 2019.3 is present, (as well as some fixes targeted at 2019.4), apart from features that have been removed. If all goes to plan, we hope to ship the final 2020 release in time for the New Year, but that relies on people joining in and helping us test! We hope you will consider making that contribution, so that we can continue to deliver high-quality free simulation software that will be useful to you on January 1. You can find the code, manual, release notes, installation instructions and testsuite at the links below. Code: ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020-beta1.tar.gz Documentation: http://manual.gromacs.org/documentation/2020-beta1/index.html (includes install guide, user guide, reference manual) Release Notes: http://manual.gromacs.org/documentation/2020-beta1/release-notes/index.html Test Suite: http://gerrit.gromacs.org/download/regressiontests-2020-beta1.tar.gz Happy testing! -- Paul Bauer, PhD GROMACS Release Manager KTH Stockholm, SciLifeLab 0046737308594 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.