Dihedral restraint

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 ?


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