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Mark Abraham

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03/22/2017

05:44 PM GROMACS Bug #2145: `gmx energy` -skip option yields unexpected subsampling of data
David Dotson wrote:
> I've attached a shortened version of the EDR file used to produce the XVGs given above. This w...
02:56 PM GROMACS Wiki edit: Documentation_migration (#3)
11:29 AM GROMACS Task #1043: Contrib policy
Nothing currently in src/contrib can possibly work, and nobody on the core team should put effort into making it comp...
11:18 AM GROMACS Task #2146 (New): salvage documentation from old webpage
We plan to move documentation from the old wiki to a new Wordpress site (perhaps in some cases as reStructuredText), ...
11:17 AM GROMACS Wiki edit: Documentation_migration (#2)
11:05 AM GROMACS Wiki edit: Documentation_migration (#1)
10:55 AM GROMACS Wiki edit: Wiki (#1)
10:36 AM GROMACS Bug #2145 (Accepted): `gmx energy` -skip option yields unexpected subsampling of data
10:26 AM GROMACS Bug #2145: `gmx energy` -skip option yields unexpected subsampling of data
Thanks for the report. Unfortunately, the only thing stranger than that output is the implementation of things like @...

03/21/2017

07:52 PM GROMACS Bug #2144: Dihedral_restraints options is broken for 5.X versions in GROMPP
Marcelo Depolo Poleto wrote:
> What is the use for two dihedral restraints (A and B)?
As I hinted, in a dual-topo...

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