Problem in NAMD QMMM

From: Kshatresh Dutta Dubey (kshatresh_at_gmail.com)
Date: Sat Mar 25 2017 - 13:37:25 CDT

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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
http://www.ks.uiuc.edu/~rcbernardi/QMMM 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
Kshatresh

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

• text/x-log attachment: out.log

• application/octet-stream attachment: config.ORCA.namd

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