Dear Amber users,
I have a question regarding the test of Amber11 and AT15.
After installation of AT15 and Amber11, I run make test and get the .diff files in folder $AMBERHOME/AmberTools/test/logs/test_at_serial and $AMBERHOME/test/logs/test_amber_serial. The results showed some comparison failures. Especially, there are some possible failures in test/sander_pbsa_radi, test/sander_pbsa_tsr, test/sander_pbsa_decres, test/sander_pbsa_decpw, and src/mm_pbsa/Examples. But I need to use pbsa to calculate binding energy. I am wondering if these failures are significant problems? Can I still use mm_pbsa or I have to fix it?
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Received on Fri Nov 11 2011 - 15:30:04 PST
