From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Sun Jan 11 2004 - 13:08:05 CST
Hi all,
I must be a bit tired, but the conformational restraints I am trying to apply
do not seem to work.
My NAMD conf file contains something like that :
freeEnergy on
freeEnergyConfig {
urestraint {
dihe (D, 1, NT) (D, 1, C) (D, 1, CA) (D, 1, N) kf=500.0 ref=90.0
}
}
NAMD parses that without complaining, but my system does not look affected at
all. So will someone helpful tell me what I have forgotten ?
Thanks!
Jerome
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