Dear All,
Please ignore my previous mail (message below). I have solved the problem of possible FAILURE.
I re-compiled both AMBER12 and AmberTools13 (applied all bugfixs). After make test, there is no possible FAILURE.
Best,
Xioling
From: xioling_c.hotmail.com
To: amber.ambermd.org
Date: Tue, 27 Aug 2013 04:29:59 +0200
Subject: [AMBER] AmberTools13 test: possible FAILURE
Dear all,
I have installed AmberTool13 as serial, and installation was complete. After "make test", I got 7 possible FAILUREs in directory
"$AMBERHOME/AmberTools/test/mmpbsa_py/07_Comprehensive".
An example file I attached here is "FINAL_RESULTS_MMPBSA_2.dat.dif" in which the delta G binding is very large.
Any suggestion, please.
Best,
Xioling
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Received on Mon Aug 26 2013 - 21:30:02 PDT
