**From:** Jérôme Hénin (*jerome.henin_at_ibpc.fr*)

**Date:** Fri Sep 13 2019 - 04:19:50 CDT

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Hi Miro,

Within the atom group block you can specify: "enableForces off".

Of course this changes the physics of what the harmonic restraint does: the

net force is halved (effectively halving the force constant), and its net

contribution to center-of-mass motion becomes nonzero.

Jerome

On Fri, 13 Sep 2019 at 10:06, Miro Astore <miro.astore_at_gmail.com> wrote:

*> Hi all,
*

*>
*

*> I would like to pull on the atoms in group1 but not the ones in group 2.
*

*> Help on how to do this would be appreciated. Example Colvar below
*

*>
*

*> colvarsTrajFrequency 500
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*> # Pulling
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*> colvar {
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*> name Pulled
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*> outputAppliedForce yes
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*> distance {
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*> group1 {
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*> atomsFile atoms.pdb
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*> atomsCol O
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*> atomsColValue 1.0
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*> }
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*> group2 {
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*> atomsFile atoms.pdb
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*> atomsCol O
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*> atomsColValue 2.0
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*> }
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*> }
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*> }
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*> harmonic {
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*> colvars Pulled
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*> centers 34
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*> targetCenters 4
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*> targetNumSteps 30000
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*> forceConstant 4.0
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*> }
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*>
*

*> Best, Miro
*

*>
*

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