[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


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 

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

More information about the gromacs.org_gmx-developers mailing list