colvars: Error: undefined output or restart file.

From: Bonnie Merchant (
Date: Fri Jun 26 2009 - 13:41:42 CDT

Hello All,

I might be missing something quite simple, but I'm not sure why I keep
getting this error in an Colvars/ABF simulation in NAMD 2.7b1:

colvars: Error: undefined output or restart file.
colvars: If this error message is unclear, try recompile with
FATAL ERROR: Error in the collective variables module: exiting.

Do I need to define an output name within the colvarsConfig file (a
separate name from the one in the NAMD conf file)?

I tried defining "outputName" within the colvarsConfig file, but it then
reports this error:

Colvars: Error: keyword "outputname" is not supported, or not recognized
in this context.

My Colvars Config is as follows:

colvarsTrajFrequency 10
colvarsRestartFrequency 10000
analysis on

colvar {
name d
width 0.2
lowerBoundary 5.0
upperBoundary 15.0
lowerWallConstant 10.0
upperWallConstant 10.0

distance {
  group1 {atomNumbersRange 8210-8231}
  group2 {atomNumbers 8232 8233 8234}
  oneSiteSystemForce yes
abf {
colvars d
fullSamples 500
outputFreq 500
applyBias yes

Any advice would be much appreciated. Thanks in advance,


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