<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Just to offer up my two cents on part of this:<br><div><blockquote type="cite"><div><blockquote type="cite"><font class="Apple-style-span" color="#000000"><br></font>Sorry, we'll announce it :-) Actually, this was mostly a fix for a powerpc build in Barcelona and rather than doing a separate build I figured I could pack what we had in the release branch for everybody.<br></blockquote><blockquote type="cite">In the future, I would probably prefer to move to a setup where we semi-automatically release a new version from the release branch every 2-3 weeks (together with nightly builds). Every time we formally "prepare" for a release there ends up being "just one more fix" that should go in - two days later the first person doesn't have time to make the release, and then we wait another week, after which there is "just one more fix", etc. ;-)<br></blockquote><br>Would such frequent releases cause problems with version consistency? I always try to conduct my projects using the latest version of Gromacs (which is always recommended to make use of bug fixes and new features), but if we have new versions every few weeks, are users then encouraged to continue existing simulations under newer versions? Certainly moving from 3.3.x to 4.0.x wouldn't make much sense, with all the lovely 4.0 features that are new; I'm referring mostly to minor revisions within the 4.0.x series.<br><br></div></blockquote><div><br></div><div>My take on this is that (a) frequent releases are good, because this will allow people to use a version that incorporates known bugfixes. In previous versions sometimes there have been many bugfixes floating around that one would need to apply to have a bug-free code to run. But (b) a particular project should always be done with ONE particular version of GROMACS (either a particular point release, a particular CVS branch & checkout date, etc.), with no switching in the middle, except under exceptional circumstances. The idea should be that we provide enough information in our papers that another group can reproduce our calculations; this includes specifying what version of the code was used for all calculations, which is a lot more difficult if one switches codes during a project.</div><div><br></div><div><br></div><br><blockquote type="cite"><div>Also, there has been increasing discussion of this bug affecting more and more users:<br><br><a href="http://bugzilla.gromacs.org/show_bug.cgi?id=313">http://bugzilla.gromacs.org/show_bug.cgi?id=313</a><br><br>Has anyone nailed down the source? It seems that LJ-14 energies are not calculated correctly in 4.0.4, which seems pretty serious to me.<br><br>Thanks in advance for any comments.<br><br>-Justin<br><br><blockquote type="cite">Cheers,<br></blockquote><blockquote type="cite">Erik<br></blockquote><blockquote type="cite">On May 12, 2009, at 12:47 PM, Manuel Prinz wrote:<br></blockquote><blockquote type="cite"><blockquote type="cite">Hi everyone,<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">since last Saturday there's a gromacs-4.0.5.tar.gz available on the FTP<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">server. Nevertheless, I did not find an announcement on either the website<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">or the mailing list. Is this an official release tarball?<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">On an aside, do you have plans to reactivate the announce mailing list? It<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">seems like it hasn't been used in years but I'd really appreciate it to<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">use it since announce emails can get lost in the regular list traffic<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">quite easily.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">All the best, and thanks for this great piece of software!<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Manuel<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">_______________________________________________<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">gmx-developers mailing list<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">gmx-developers@gromacs.org<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">http://www.gromacs.org/mailman/listinfo/gmx-developers<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Please don't post (un)subscribe requests to the list. Use the<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">www interface or send it to gmx-developers-request@gromacs.org.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite">------------<br></blockquote><blockquote type="cite">Erik Lindahl <lindahl@cbr.su.se> Backup: <erik.lindahl@gmail.com><br></blockquote><blockquote type="cite">Associate Professor, Computational Structural Biology<br></blockquote><blockquote type="cite">Center for Biomembrane Research, Dept. Biochemistry & Biophysics<br></blockquote><blockquote type="cite">Stockholm University, SE-106 91 Stockholm, Sweden<br></blockquote><blockquote type="cite">Tel: +46(0)8164675 Mobile: +46(0)703844534 Fax: mail a PDF instead<br></blockquote><blockquote type="cite">_______________________________________________<br></blockquote><blockquote type="cite">gmx-developers mailing list<br></blockquote><blockquote type="cite">gmx-developers@gromacs.org<br></blockquote><blockquote type="cite">http://www.gromacs.org/mailman/listinfo/gmx-developers<br></blockquote><blockquote type="cite">Please don't post (un)subscribe requests to the list. Use thewww interface or send it to gmx-developers-request@gromacs.org.<br></blockquote><br>-- <br>========================================<br><br>Justin A. Lemkul<br>Ph.D. Candidate<br>ICTAS Doctoral Scholar<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]vt.edu | (540) 231-9080<br>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br><br>========================================<br>_______________________________________________<br>gmx-developers mailing list<br>gmx-developers@gromacs.org<br>http://www.gromacs.org/mailman/listinfo/gmx-developers<br>Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-developers-request@gromacs.org.<br></div></blockquote></div><br></body></html>