All,
Is there any chance of getting an "official" patch released for 3.3.3
that fixes the mdrun bug I have pointed out in the past, or perhaps an
official, super-minor point release? I can provide the patch -- I'd
just like it posted somewhere official.
The reason for this is that I'm trying to get some supercomputing
folks to install the software system-wide, and they are reluctant to
do it for my own "custom code" but I can probably get them to do it if
it's an "official" patch.
I realize the developers are probably less than enthusiastic about
doing anything further with 3.3.x. But I've got some free energy
projects going in my own group and with some others that use tools
that work only with 3.3.x, not 4.0.x. Additionally, we are reluctant
to switch to 4.0.x without doing a lot of testing of the free energy
components (which is yet another reason why we need a patched 3.3.x to
compare to), given the number of times we were burned by free energy
bugs in 3.3.x.
Thanks for your help.
David Mobley, Ph.D.
Assistant Professor of Chemistry
University of New Orleans
New Orleans, LA 70148
dlmob...@uno.edu
Office 504-280-6445
Fax 504-280-6860
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