From: Ling Wu (emilia.l.wu_at_gmail.com)
Date: Fri Sep 23 2011 - 12:26:08 CDT
Hi All,
I am using colvar to restrain some part of my system, and I have a colvar configuration file like this:
-----------------------------------
Colvarstrajfrequency 100
Colvarsrestartfrequency 100
colvar {
name head_POPC_up
distanceZ {
ref {
dummyAtom ( 0.000, 0.000, 0.000 )
}
main {
atomsFile head_POPC_up_main.ref # head atoms #
atomsCol B
atomsColValue 1.0
}
}
}
harmonic {
colvars head_POPC_up
centers 19 # or wherever the head group should be (15, 18, 17...) #
forceConstant 5
}
-----------------------------------------
Is there any way I can define some variables for the forceConstant in the NAMD configuration file, so the parameter can pass to colvar configuration file automatically? Thanks a lot!
Emilia
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