Hi Jason and Amber users,
I have been facing a strange problem with PB calculation for a protein-DNA
system from the last week. The error looks like
/home/sudipta/Downloads/amber12/bin/mmpbsa_py_energy failed with prmtop
The script, MMPBSA.py.MPI has finished GB calculation for my system without
any error. Moreover, the tutorial files finish without any error. Please
find the attached two final output files of those two calculations. It
really puzzles me why PB calculation is not finishing properly for my
system. I don't get any fruitful error message except the above one. By the
way, I am using only AmberTools12 and the OS is Ubuntu 10.4.
Looking forward to hear from you soon.
Thanks in advance
Sudipta
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Received on Mon Jul 23 2012 - 13:30:03 PDT
