[gmx-users] perturbed distance restraints?

Berk Hess gmx3 at hotmail.com
Tue Sep 7 09:44:54 CEST 2004




>From: Frauke Meyer <fmeyer at iris3.simm.ac.cn>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx <gmx-users at gromacs.org>
>Subject: [gmx-users] perturbed distance restraints?
>Date: 07 Sep 2004 10:47:18 +0800
>
>Hi,
>
>gmx 3.2.0 now allows to perturb positional restraints by changing the
>force constants in the posre.itp - is the same true for distance
>restraints?

No.

Harmonic potentials can be perturbed though.
They only lack the flat part of the distance restraints.

Berk.

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