[gmx-developers] Repo for development scripts etc.

David van der Spoel spoel at xray.bmc.uu.se
Fri Mar 11 11:02:08 CET 2011


Hi,

I wonder whether there is a good place to store development scripts? 
There is the forcefields repository where a copy of the amber files are 
stored.

What I am thinking of is a repository where we can put scripts and data 
files for e.g. converting the OPLS native files to gromacs format, such 
that when there is a new version of this ff we can re-use these scripts 
and possibly update them and so on.

My application for this is a set of modified amber files that are 
generated from a standard amber files (for use with the qhop proton 
hopping code). Is there any objection against putting this stuff in the 
forcefields repository?

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se



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