Patchfile? Re: [gmx-users] gromacs 3.3.2
David van der Spoel
spoel at xray.bmc.uu.se
Mon Oct 1 08:37:06 CEST 2007
Allen Smith wrote:
> In message <47000271.1010405 at xray.bmc.uu.se> (on 30 September 2007 22:09:21
> +0200), spoel at xray.bmc.uu.se (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: http://www.gromacs.org 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 :).
> 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 xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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