Re: Colvars Restraint Question

From: Bassam Haddad (bhaddad_at_pdx.edu)
Date: Thu Jun 21 2018 - 12:33:58 CDT

Hi Kelly,

I think your atom selection in vmd would be...

set sel [atomselect top "lipids or protein"]

Bassam

On Thu, Jun 21, 2018 at 10:05 AM McGuire, Kelly <mcg05004_at_byui.edu> wrote:

> I would like to place a harmonic restraint on the center of mass of a
> protein-membrane system. I have an ion channel
>
> in a bilayer, and I would like to restrain the COM of that system during
> my adaptive biasing force simulation. What would
>
> the atom selection look like in order to create that restraint?
>
>
> *Kelly L. McGuire*
>
> *PhD Scholar*
>
> *Department of Physiology and Developmental Biology*
>
> *Brigham Young University*
>
> *LSB 3050*
>
> *Provo, UT 84602*
>
>
>

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