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.
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:53 CST