Patchfile? Re: [gmx-users] gromacs 3.3.2

David van der Spoel spoel at
Mon Oct 1 08:37:06 CEST 2007

Allen Smith wrote:
> In message <47000271.1010405 at> (on 30 September 2007 22:09:21
> +0200), spoel at (David van der Spoel) wrote:
>> Hi,
>> 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...
We don't usually do that. You could however download both original 
versions, create a paach from that and apply it to your own codebase.
>> It contains a lot of small bug fixes.
> Including for the long-range interactions bug, I trust?
I'm not sure what your referring to, but if it was in bugzilla it has 
been fixed. Otherwise it wasn't a bug :).

> 	  Thanks,
> 	  -Allen
> 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.

David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at	spoel at

More information about the gromacs.org_gmx-users mailing list