[gmx-users] appropriate position restraint for stability of alpha helix

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Apr 5 19:14:06 CEST 2016

Hi Mijiddorj,

For a biologically stable alpha-helix, you should not use any restraints.
If you want to stabilize a helix that is known to fold/unfold, then try
something not too stiff. Usually like 100 kJ/mol/nm^2 should already do.
But again, don't try to 'fix' a force field in this way.


On Apr 5, 2016 19:06, "Mijiddorj Batsaikhan" <b.mijiddorj at gmail.com> wrote:

> Dear users,
> Hello. I would like to simulate different length of alpha helices. I would
> like to find position restrain and other important parameters for stability
> of helix.
> What value of restrain appropriate for stable helix?
> Mijiddorj
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