ABF calculation using RMSD

From: Buddhadev Maiti (chebm_at_langate.gsu.edu)
Date: Mon Apr 25 2011 - 22:14:39 CDT

Dear NAMD Users,
I am performing ABF calculation using RMSD as a collective variable. I am using NAMD-2.7 version. My Distance.in file is in below. After running 4ns, it didn't sample lower part of window. I am sending prod.count values from my last window. Could anybody can suggest me about this problem, it will be great help for me.
Have a nice day,
Thanks,
Maiti

Distance.in
Colvarstrajfrequency 1000
Colvarsrestartfrequency 1000
colvar {
name GRrmsd
width 0.1
lowerboundary 19.780
upperboundary 21.780
lowerwallconstant 200.0
upperwallconstant 200.0
rmsd {
atoms {
atomsFile 1.pdb
atomsCol O
atomsColValue 1.0
}
refPositionsFile ep.pdb
refPositionsCol O
refPositionsColValue 1.0
}
}
abf {
colvars GRrmsd
fullSamples 2000
}

prod.count:
       # 1
# 19.78 0.1 20 0

 19.83 1244743
 19.93 412417
 20.03 158821
 20.13 57458
 20.23 7882
 20.33 10733
 20.43 11685
 20.53 2906
 20.63 6273
 20.73 4851
 20.83 2651
 20.93 2445
 21.03 0
 21.13 0
 21.23 0
 21.33 0
 21.43 0
 21.53 0
 21.63 0
 21.73 0

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