[gmx-developers] pull code generalization feedback request

Berk Hess hess at kth.se
Mon Sep 30 12:45:29 CEST 2013


The pull code in Gromacs, although widely used, has always been somewhat 
restricted in features and the interface is a little awkward. I want to 
improve this for 5.0. But to avoid bugs as much as possible and to keep 
the interface understandable, I would like to limit the features to the 
minimum. I don't know what people would like to use the pull code for, 
so I need some feedback on what people might want.
I have created a redmine feature request and listed there what the 
minimum is I want to add, as well as my suggestion for a new mdp option 
layout. Please add you comments in redmine.



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