From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Sun Jul 28 2019 - 14:40:58 CDT
Add in a "temperature $temperature" line, since that is what the error message wants you to do. I'm a bit confused as to what you mean by the tkconsole, as NAMD doesn't have one. Are you running interactive MD? Putting in commands in the tkconsole within VMD doesn't actually eliminate the error message.
On 2019-07-27 21:53:46-06:00 owner-namd-l_at_ks.uiuc.edu wrote:
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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