[gmx-developers] make_edi: cvs or contributions?

Bert de Groot bgroot at gwdg.de
Tue Apr 1 11:07:10 CEST 2003


We've created a tool (make_edi) to generate an Essential Dynamics sampling 
input file (.edi) based on g_covar output. So all those that would like 
to do ED sampling (or manipulate the positions along certain eigenvectors 
during a simulation in some other way) can now do so without being dependent 
on WHAT IF. Additionally, we modified edsam.c such that it will also run 
in parallel (at least in the most common cases).

How should we preferably upload this? I briefly talked to Berk about this,
and he suggested to commit the changes via cvs. We'd be happy to do that,
but we'd need a cvs account to be able to commit the changes. A problem,
however, could be that the cvs version is not very stable right now, as
I understand it, which would make it difficult for us to test things. As
an alternative, we could upload our modifications against the 3.1.4 version
to the 'contributions' section. That way, ppl can already start using/testing
it and one of the core developers might then want to incorporate it into
cvs sometime between now and the next release.

Please let me know which of the two (or both) is prefered.



Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11 
37077 Goettingen, Germany

tel: +49-551-2011306, fax: +49-551-2011089

email: bgroot at gwdg.de

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