From: Bennion, Brian (bennion1_at_llnl.gov)
Date: Thu Jun 04 2015 - 16:24:44 CDT
Hello,
I am trying a test of the colvars dihedral component. My files are based on those from NANMA tutorial.
The calculation stops when it tries to write for the first time. The job seems to have forgotten the name of the some of the output files. I do get output in the *.pmf file, however.
colvars: Writing the state file "".
colvars: Error: in writing restart file.
The colvars section of the log file is listed below and my colvars config file is listed after that.
I have searched the mail lists for namd and the tutorials without a hit on this type of error. I may have missed something. It just seems this error is an omission on my part somewhere.
Brian
colvars: ----------------------------------------------------------------------
colvars: Initializing the collective variables module, version 2012-03-23.
colvars: # analysis = off [default]
colvars: # colvarsTrajFrequency = 500
colvars: # colvarsRestartFrequency = 500
colvars: # colvarsTrajAppend = off [default]
colvars: The final output state file will be "apo2apoFlipped.colvars.state"--_000_2FD898B2B3ACB44289F398FACE042B4ADA44C360PRDEXMBX01thela_--
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