[gmx-developers] next Gromacs release

Rossen Apostolov rossen.apostolov at cbr.su.se
Tue Jun 15 14:09:58 CEST 2010


Hi,

On 06/08/2010 04:41 PM, Roland Schulz wrote:
> Hi,
>
> just to clarify. The history function (*) should also wait for the 
> next release, right? I really don't mind, just want to make that this 
> is the case.
>
If it's well tested I don't mind. Any other opinions whether it should 
be included?

Rossen
> *) It records all GROMACS commands with its input and output files 
> into a history file. It shows all commands back to the original PDB 
> leading to a specific output, detecting which intermediated files are 
> still there or have been changed. Thus simplifying to keep track of 
> which files were produced by which other files and programs. It is 
> available in the history branch and seems to work correctly. In case 
> it should be included I would need to clean it up some and would need 
> to modify the futil calls to the changes in master since the branch point.
>
> Roland



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