Patchfile? Re: [gmx-users] gromacs 3.3.2

Allen Smith easmith at
Mon Oct 1 00:08:33 CEST 2007

In message <47000271.1010405 at> (on 30 September 2007 22:09:21
+0200), spoel at (David van der Spoel) wrote:
>it is my pleasure to let you all know that 3.3.2 is now available for 
>download from the usual source: and 

Will a patch be available for going from 3.3.1 to 3.3.2? If not, I may
upload one as a user contribution, with the difficulty that I'll have to
tar-gz it to match the filename restrictions...

>It contains a lot of small bug fixes.

Including for the long-range interactions bug, I trust?



P.S. I would be needing to do this upgrade via a patch due to local changes,
which will be uploaded after publication of the material involved (or
possibly before, in some cases). How interested other people will be in the
changes in question will be variable - for instance, people doing real NMR
restraints may not want the changes that I've had to do for purposes of
using NMR restraints for homology modeling, since they involve expansion of
arrays (to allow for more restraints per atom) that might be problematic
with lots and lots of atoms restrained.

Allen Smith		
There is only one sound argument for democracy, and that is the argument
that it is a crime for any man to hold himself out as better than other men,
and, above all, a most heinous offense for him to prove it. - H. L. Mencken

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