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GROMACS is a software package for simulations of molecular dynamics.

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GROMACS 2016.2 out now - new bug fixes!

[gmx-users] GROMACS 2016.2 releaseed

[gmx-users] GROMACS 2016.2 releaseed. Mark Abraham mark.j.abraham at gmail.com. Tue Feb 7 14:19:39 CET 2017. Previous message: [gmx-users] Regarding topology... Next message: [gmx-users] mdp file for slow-growth free energy calculation; Messages sorted by: [ date ] [ thread ] [ subject ] ...

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Come get the latest bug fixes!

[gmx-users] GROMACS 2016.1 released

[gmx-users] GROMACS 2016.1 released. Mark Abraham mark.j.abraham at gmail.com. Fri Oct 28 23:09:41 CEST 2016. Previous message: [gmx-users] pmf; Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]. Hi GROMACS users, The official release of GROMACS 2016.1 is available!

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GROMACS 5.1.4 out now!

[gmx-users] GROMACS 5.1.4 released

[gmx-users] GROMACS 5.1.4 released. Mark Abraham mark.j.abraham at gmail.com. Thu Sep 8 10:06:00 CEST 2016. Previous message: [gmx-users] Large (600k particle) semi-isotropic lipid bilayer system transformed into vacuum-separated coordinates by grompp and mdrun; Messages sorted by: [ date ] ...

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GROMACS: It's hard to say. Ask at http://ask.bioexcel.eu/c/gromacs where you can upload your log file for feedback.

Lochana Menikarachchi: Compiled gromacs 5.1 (latest) using gcc and g++. When gromacs starts, it shows 8 MPI threads and 2 GPUs (which is correct for my macpro). But, nothing is printed on to the console and the calculation is extremely slow (according to what is printed to the log file) ??

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http://bioexcel.eu/webinar-6-best-bang-for-your-buck-optimizing-cluster-and-simulation-setup-for-gromacs-7-september-2016/

Webinar #6: Best bang for your buck: Optimizing cluster and simulation setup for GROMACS (7 September 2016)

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Cheer! GROMACS 2016 is out now!

[gmx-users] GROMACS 2016 official release

[gmx-users] GROMACS 2016 official release. Mark Abraham mark.j.abraham at gmail.com. Fri Aug 5 00:40:55 CEST 2016. Previous message: [gmx-users] Mutation on membrane protein - Charmm36 for Gromacs; Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] ...

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Just out - GROMACS 5.1.3 patch release!

[gmx-users] GROMACS 5.1.3 released

[gmx-users] GROMACS 5.1.3 released. Mark Abraham mark.j.abraham at gmail.com. Thu Jul 21 19:46:57 CEST 2016. Previous message: [gmx-users] Using SPC/E water with the OPLS force field; Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] ...

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Jun 3, 2016

The first beta of GROMACS 2016 is out! Please help us test it on your simulation and hardware setup!

Release notes:
http://manual.gromacs.org/documentation/2016-beta2/ReleaseNotes/index.html

[gmx-users] GROMACS 2016-beta2 released

[gmx-users] GROMACS 2016-beta2 released. Mark Abraham mark.j.abraham at gmail.com. Tue May 31 16:30:59 CEST 2016. Previous message: [gmx-users] Density of States syntax question; Next message: [gmx-users] Error while re-compiling Gromacs 5.1.2 with GPU and gcc 5.3.1; Messages sorted by: [ date ] ...

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