[gmx-users] Re: Gromacs 3.3 and 3.2.1

Mark Abraham mark.abraham at anu.edu.au
Wed Mar 29 15:56:46 CEST 2006

> Hi,
> I'm relatively new to GROMACS and when I was installing it I noticed that
> there was no manual for 3.3 and it was listed as being under development,
> however I noticed that many people in list appear to have upgraded. Is 3.3
> the stable release now or is it still in development?

3.3 is stable, but there are a small number of known bugs - in particular
pme_order != 4 is broken, with a fixed pme.c available on the FTP site.
There has been no manual release for 3.3, although 2-3 weeks ago somebody
implied that that might change in a week or so, but so far I've missed any
developments if any have happened. The adventurous can follow the
instructions on the gromacs webpage (in the FAQ, I think) for building the
manual from 3.3 CVS source after a cvs checkout. I did this so I could get
the one page on REMD... most people probably won't need whatever changes

There is a list of changes between 3.2.1 and 3.3 elsewhere on the website,
which you can check to judge whether anything you're doing was likely to
have induced a change to the manual, else the 3.2.1 manual is probably


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