[gmx-users] Re: g_energy problem with 4.5.1 and 4.5.2

Sander Pronk pronk at cbr.su.se
Tue Nov 2 13:35:20 CET 2010

Hi Michael,

I've just committed a fix to the git repository (it's in the release-4-5-patches branch)

There were 2 problems 
- Energy files in double precision couldn't be read in 4.5.2, due to an overly strict error checking issue.
- The box matrix wasn't written out correctly (in any 4.5 version). 

As Berk said, these issues are bad enough for a new version to be released soon.


On 2 Nov 2010, at 11:55 , Michael Brunsteiner wrote:

> Sander pronk wrote:
>> Hi Michael,
>> I've been able to reproduce both problems - I'll fix them shortly.
> thanks for your swift reply!
> I assume any fix will be in the Git version only for some time
> to come, right?
> cheers,
> Michael
>> Sander
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list