[gmx-users] major issue with gmx-4.0.3?
x.periole at rug.nl
Wed Oct 14 08:22:43 CEST 2009
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.
> XAvier Periole wrote:
>> 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:
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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
> gmx-users mailing list gmx-users at gromacs.org
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