Pascal Merz
- Registered on: 03/27/2017
- Last connection: 05/08/2018
Issues
Projects
- GROMACS (Developer, 12/12/2017)
- Next-generation analysis tools (Developer, 12/12/2017)
- Source code reorganization (Developer, 12/12/2017)
Activity
04/04/2018
- 12:51 PM GROMACS Revision 8ee76066: Move checkNumberOfBondedInteractions
- In task #1868, we will move the rerun functionality from do_md to
a separate function in a new file. As both do_md an...
12/21/2017
- 01:03 PM GROMACS Revision 05a53d08: Documentation and fixes for physical validation
- Addresses #2349
Adds documentation for the physical validation suite in
docs/dev-manual/physical_validation.rst
As ...
12/13/2017
- 07:34 AM GROMACS Bug #2349: multiple issues with physical validation suite
- Thank you for the report. I'm on it, should be able to address most points by tomorrow.
A question about the docum...
11/22/2017
- 04:36 PM GROMACS Revision 6dd0349f: Proof of concept: Physical validation suite
- This is a proof of concept for a physical validation suite for GROMACS
(https://redmine.gromacs.org/issues/2070). It ...
Also available in: Atom