[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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