GROMACS development

10/02/2019

10:46 PM GROMACS Revision 7141c2ed: Update the www link to the Doxygen documentation in the dev guide

The doxygen manual seems to have been relocated from
http://www.stack.nl/~dimitri/doxygen/manual/index.html
to http:/...

08:37 PM GROMACS Revision f03102fb: Update the www link to the Doxygen documentation in the dev guide

The doxygen manual seems to have been relocated from
http://www.stack.nl/~dimitri/doxygen/manual/index.html
to http:/...

09/30/2019

08:59 PM GROMACS Revision 671412d5: Move ForceProviders class into the gmx namespace

Since the C group kernels have been removed there is no need any more for
having ForceProviders as a struct outside t...

02:56 PM GROMACS Revision f3b7c3a0: Corrected a few typos in documentation and comments

Change-Id: Ic697080a7c1f1a01bb8370563c1256990935d05e

04/10/2019

11:27 AM GROMACS Task #2919: C++ style guidelines for namespace use

+1

04/04/2019

05:30 PM GROMACS Bug #2918 (Resolved): mdrun segfaults with group scheme .tpr

Applied in changeset commit:8080617f2cffc2223a3b46de619943e18210607c.

05:27 PM GROMACS Revision 8080617f: Early exit from mdrun if group scheme is detected in .tpr

Fixes #2918
Change-Id: I37566623c3ed4613f8b4e69f9f74882656772d1d

03:14 PM GROMACS Bug #2918 (Closed): mdrun segfaults with group scheme .tpr

Due to a small glitch, commit ce17e81d93d7416c0e2d "Initial deactivation of group scheme" does not give a fatal error...

12/05/2018

03:21 PM GROMACS Feature #2791 (In Progress): Implement a module for lambda-dynamics simulations (lambda_site module)

11/29/2018

02:01 PM GROMACS Bug #2781 (Closed): mdrun 2018 using SD integrator segfaults when attempting to read from checkpoint file

We have a small mixture system of water/alkanol using the SD integrator. It runs fine and stable in v. 2018, however ...