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tonigi committed Aug 21, 2017
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Expand Up @@ -168,15 +168,38 @@ lines, remember to set the top molecule to the one you want to analyze.*

### Backbone torsion CVs

The **Structure>Insert backbone torsions...** inserts a list of CVs
corresponding to the φ, ψ, and ω Ramachandran angles defined in an
The **Structure>Insert backbone torsions...** dialog inserts a list of
CVs corresponding to the φ, ψ, and ω Ramachandran angles defined in an
atom selection. Note that N-CA-C atom names are assumed for backbone
atoms. Dihedrals involving atoms outside the selection are not
added. The ω angle is intended between residue *i* and *i+1*.

![Ramachandran CVs](plumedgui_rama.png)


### Display gradients and forces

The **Structure>Display gradients and forces...** uses the "dump
forces" function of PLUMED2's `driver` to visualize the force vector
that a CV would apply on each atom. To use this function,
one should add a bias, most likely a linear restraint. For example,
the following script

```
g: GYRATION ATOMS=[chain B and name CA] TYPE=RADIUS # Trivial example but of course any CV works
RESTRAINT ARG=g AT=0 SLOPE=-1 # Unitary force in the positive CV direction
```

would yield the following display in VMD main window (on PDB:1KDX
chain B). This shows the direction of the forces corresponding to
unitary posivite "generalized force" acting on the radius of gyration
of Cα atoms.

![Show forces](plumedgui_show_forces.png)





VMD Colvars
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