Hi, I'm currently performing PBSA calculations using AmberTools 15 and
MMPBSA.py.
I'm getting recurrent error messages with the following line (with
varying final numbers):
PB Bomb in epsmap(): epsz out of range 130 85 87
It appears that the error occurs when running jobs in parallel (that is,
many independent single-job pbsa calculations on the same machine),
although I couldn't confirm this 100%.
I saw that this message was posted before to the forums, but it didn't
offer a solution, that's why I'm posting it again.
http://archive.ambermd.org/201206/0471.html
Please let me know if there's a solution to this problem. I'm happy to
share the output files if necessary.
Thanks in advance!
Bruno
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Received on Tue Mar 15 2016 - 15:00:04 PDT
