[gmx-users] Free energy of dihedral restraint
bobjohnson1981 at gmail.com
Mon Mar 10 20:57:36 CET 2008
I would like to compute the free energy of turning on orientation
restraints (1 distance, 2 angle, 3 dihedral). I'm using Gromacs v.
3.3.1 and there doesn't seem to be a way to perturb the dihedral
restraints section of the topology file. Has this feature been
implemented in v. 3.3.3? I didn't see any documentation about this in
the revision history. Are there plans to implement this at some point?
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