GROMACS development

07/29/2019

11:09 PM GROMACS Task #2341: assess the state of building and using GROMACS on Windows

It would be nice if MinGW was supported, it would make it possible to cross-compile on Linux and deploy on Windows, w...

12:38 PM GROMACS Bug #3050: Fix tests on Solaris

GCC 5:...

11:01 AM GROMACS Bug #3050: Fix tests on Solaris

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10:32 AM GROMACS Bug #3050 (New): Fix tests on Solaris

Gerrit change 12245 [1] fixes building on Solaris with GCC. Some tests are still failing (details in the comments) an...

05/16/2018

06:46 PM GROMACS Feature #2224: Proposed feature: conditional stop

Hello everyone, after discussing this with Mark last month in Huenfeld I came up with a proposal that abstracts the b...

03/20/2018

04:34 PM GROMACS Revision 1333a483: Document matrix_convert function in PBC

The brief documentation was in place, but the documentation of the
function parameters was missing. This patch adds i...

01/08/2018

05:13 PM GROMACS Bug #2152: Error in xdr3dfcoord results in "XTC error - maybe you are out of disk space?"

Thanks Erik!

12/12/2017

01:45 PM GROMACS Task #2146: salvage documentation from old webpage

Mark Abraham wrote:
> Paul has been working hard on this, but it won't be complete for the 2018 release
I don't t...

12/06/2017

04:55 PM GROMACS Bug #2333: mdrun crash with high density of particles and SD integrator

Thank you for quick response. Unfortunately, halved example doesn't crash. I don't use MPI and/or GPU and this is rep...

01:39 PM GROMACS Bug #2333 (Closed): mdrun crash with high density of particles and SD integrator

See the attached tpr (split in two parts because it's 90 MB compressed).