From: Han, Yuwei (yuwei.han17_at_imperial.ac.uk)
Date: Mon Oct 21 2019 - 22:28:46 CDT
Hey, I am a fresh user of NAMD. These days, I was trying to use the rest2 program in NAMD 2.13. I think I met some problems with repeating the example file from lib/replica/REST2, and the script file is lib/replica/REST2/rest2_remd.namd. I followed the tutorial from follow the README.txt file in lib/replica directory. The following is the problem I met:
Info: Configuration file is job0.conf
Info: Working in the current directory /share1/home/hanyw/NAMD/REMD-60%/REST2/REST2
TCL: Reduction callback proc set to save_callback
TCL: Suspending until startup complete.
ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR: soluteScalingFactor
ERROR: soluteScalingAll
ERROR: soluteScalingFile
ERROR: soluteScalingCol
ERROR: soluteScaling
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
I am pretty new to this area, I know that it might be easy for you to deal with it. However, for me, this example has bothered me for a few days. May I ask what should I do based on this?
Thank you so much!!
Best
Yuwei
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