[gmx-users] major issue with gmx-4.0.3?

[XAvier Periole]

I had a look at the notes ... nothing there to satisfy my concerns :))

If gmx-403 is fine on the basic MD level it is then good news.

If anybody recalls some thing I would appreciate to be informed.

Best,
XAvier.

> XAvier Periole wrote:
>> Dears,
>> I recall the report of a major issue in gmx-4.0.3. At the time this
>> made me put gmx403 on the side of "not to be used versions".
>> I can not find a trace of it ... anyone would remember anything?
>
> I thought the major problem was with 4.0.1 - it had something broken  
> that caused simulations to run something like 50% slower, and hence  
> why it is unavailable for download.
>
> There were some issues with the free energy code, missing  
> interactions when using TIP4P, I believe, and otherwise small issues  
> with the pull code.  Complete release notes are posted on the website:
>
> http://www.gromacs.org/About_Gromacs/Release_Notes/Revisions_in_4.0
>
> -Justin
>
>> Thanks,
>> XAvier.
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>
> -- 
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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