From: 辛志宏 (xzhfood_at_njau.edu.cn)
Date: Sat Jul 27 2019 - 22:48:17 CDT
I practice QM/MM using a protein named 4b9f from NAMD-QM/MM TUTORIAL, MM-MD is successful, but the QM-MM can not initiate, the error information is as follows:
Reason: FATAL ERROR: Must have either an initial temperature or a velocity file
Charm++ fatal error:
FATAL ERROR: Must have either an initial temperature or a velocity file
ERROR) Error connecting to localhost on port 3000
I also download the tutorial files from NAMD website, but the error is the same, I try input "set temperature 300" in the TK console, the error still repeated again.
How to solve the problem? Thank you for your help.
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