From: Vamshi Gangupomu (krish833_at_gmail.com)
Date: Sun Nov 15 2009 - 05:32:42 CST
Hello Everyone,
I have been trying to fold a protein using metadynamics as a simple
exercise. I made the colvars config file based on the user guide and forums.
I am using distance between two groups of atoms and am getting a
"segmentation violation" error. Here is my colvars config file:
==========================================
colvarsTrajFrequency 10
colvar {
name d
lowerBoundary 0.0
upperBoundary 10.0
width 0.5
distance {
group1 {atomNumbersRange 1-23}
group2 {atomNumbersRange 434-458}
}
}
metadynamics {
colvars d
hillWeight 0.01
dumpFreeEnergyFile yes
}
=========================================
Am I doing some thing worng here? I have just started using this, so any
adivce/help is really appreciated.
Thank you,
Vamshi
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