On 6/17/13 7:16 AM, DavidPO wrote:
Hello, Justin.
I try to find information about it, but all examples is old and there is
nothing about it in new manuals.
I will be very grateful if you describe me a procedure of connecting orca
library to mdrun.
At this point, you don't need a tutorial or test case, per se, because it
appears (from what we have seen thus far) that the build machinery is not
producing a QM-linked mdrun executable. If you can tell me whether you still
have a problem in 4.5.7 (or even better, 4.6.2) then we can attempt to
troubleshoot. It smells like a bug, but you'll have to tell me whether or not
the latest version is affected. Given that several weeks had passed since your
last message, I wasn't sure if you were even still having a problem.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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