Re: Using restraint on the dye using radius of gyration value in namd

From: Giacomo Fiorin (
Date: Mon Apr 02 2018 - 10:40:18 CDT

On Mon, Apr 2, 2018 at 10:26 AM, Life Sciences Inc <> wrote:

> Hi All
> I want to put restraints on the "cluster of the dye" embedded inside the
> lipid bilayer according to the clustered dye radius of gyration value,
> which I already have the total value of the radius of gyration at the
> certain time frame. I want to place that particular value of the radius of
> gyration using NAMD on the headgroups of the dye to start the simulation so
> that my dye remains in clustered form throughout the simulation run can
> anyone please tell me what would be the input file for the colvar related
> to restraints according to the radius of gyration value?
> Thank you

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD

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