Problem in NAMD QMMM

From: Kshatresh Dutta Dubey (
Date: Sat Mar 25 2017 - 13:37:25 CDT

Dear Users,

I am using NAMD 2.12 for hybrid QM/MM calculations. I am using the same
inputs as provided in Example files at with ORCA as external QC program.
After submitting the job, it automatically stops without any error, and
server shows no running jobs. I am attaching the out.log file.
Please help me to figure out the problem. Thanks in advance.

Best regards

With best regards
Kshatresh Dutta Dubey
Post Doctoral Researcher,
Lise Meitner Center for Computational Quantum Chemistry
Hebrew University of Jerusalem Israel
Jerusalem, Israel

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