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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