[gmx-users] Re: g_energy problem with 4.5.1 and 4.5.2
pronk at cbr.su.se
Tue Nov 2 13:35:20 CET 2010
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?
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