Error: keyword "group1" is not supported, or not recognized in this context.

From: Shen, Han (han.shen_at_bme.gatech.edu)
Date: Fri Apr 15 2011 - 09:14:11 CDT

Hi all,
I have a problem in colvars. The same program run well on my computer which is Windows. However, when I run the same thing on the supercomputer which is Linux, the error happened every time, said: Error: keyword "group1" is not supported, or not recognized in this context. Distance.in and log file are attached bellow. Would you please help me to take a look and give me some suggestions? Thanks in advance!

*******************************************************************************
*******************************************************************************
Distance.in

colvarsTrajFrequency 2000
colvarsRestartFrequency 20000

colvar {
   name AtomDistance
  
   width 0.1

   lowerboundary 8.0
   upperboundary 15.0

   lowerwallconstant 10.0
   upperwallconstant 0.2

   distance {
      group1 {
         atomnumbers { 1 5 7 }
      }
      group2 {
         atomnumbers { 342 344 346 }
      }
   }
}

abf {
   colvars AtomDistance
   fullSamples 500
   hideJacobian

*******************************************************************************
*******************************************************************************

Log file:
colvars: ----------------------------------------------------------------------
colvars: Initializing the collective variables module, version 20091218.
colvars: # analysis = off [default]
colvars: # colvarsTrajFrequency = 2000
colvars: # colvarsRestartFrequency = 20000
colvars: # colvarsTrajAppend = off [default]
colvars: The restart output state file will be "e3k3b_in.restart.colvars.state".
colvars: The final output state file will be "e3k3b_in.colvars.state".
colvars: The trajectory file will be "e3k3b_in.colvars.traj".
colvars: ----------------------------------------------------------------------
colvars: Initializing a new collective variable.
colvars: # name = AtomDistance
colvars: Initializing a new "distance" component.
colvars: # componentCoeff = 1 [default]
colvars: # componentExp = 1 [default]
colvars: # period = 0 [default]
colvars: # wrapAround = 0 [default]
colvars: # forceNoPBC = off [default]
colvars: # oneSiteSystemForce = off [default]
colvars: Initializing atom group "group1".
colvars: Error: keyword "" is not supported, or not recognized in this context.
colvars: If this error message is unclear, try recompiling with -DCOLVARS_DEBUG.
FATAL ERROR: Error in the collective variables module: exiting.

-- 
Han Shen
Wallace H. Coulter Department of Biomedical Engineering
Georgia Institute of Technology and Emory University
Room 4165, M Building
Atlanta, GA 30332
770-676-8397

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