Dear All,
Here is a copy of my screen outputs
system:test user2$ make -f Makefile_at test.mmpbsa
cd mmpbsa_py && ./Run
This test will take awhile. Please be patient.
diffing mutant_complex.mdcrd.save with _MMPBSA_mutant_complex.mdcrd
PASSED
==============================================================
diffing FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
possible FAILURE: check FINAL_RESULTS_MMPBSA.dat.dif
==============================================================
system:test user2$ cd mmpbsa_py
system:mmpbsa_py user2$ more FINAL_RESULTS_MMPBSA.dat.dif
the last line to this file is
igb=5 should be used with either mbondi2 or bondi pbradii set. Yours are
modified Bondi radii (mbondi)
Please suggest something in this regards. I have already updated all bugs.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 27 2010 - 16:30:05 PST
