From: sakthi kumaran (persakthi_at_gmail.com)
Date: Sat Mar 19 2011 - 11:12:57 CDT
Dear all,
I tried a ABF calculation on my capped nanotube structure facing each
other.From the tutorial files I got some idea of doing it. By face some
errors while executing my program.Here is my error list
colvars: Initializing the collective variables module, version 20091218.
colvars: Error: in opening configuration file "myDistance.in".
colvars: If this error message is unclear, try recompiling with
-DCOLVARS_DEBUG.
FATAL ERROR: Error in the collective variables module: exiting
mydistance,in file is
colvarsTrajFrequency 2000
colvarsRestartFrequency 20000
colvar {
name AtomDistance
width 0.1
lowerboundary 10.0
upperboundary 3.0
lowerwallconstant 10.0
upperwallconstant 10.0
distance {
group1 {
atomNumbersRange {1-120}
}
group2 {
atomNumbersRange {120-240}
}
}
}
abf {
colvars AtomDistance
fullSamples 500
hideJacobian
}
Is something wrong here.Help me in fixing the errors why I am getting such
errors.
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