[gmx-users] Question about gmx order ...
dallas.warren at monash.edu
Mon Mar 25 00:26:16 CET 2019
First guess would be the atom at which the property is being calculated
i.e. radial line from the COM through the atom.
On Sat, 23 Mar. 2019, 6:43 am Sergio Garay, <sgaray at fbcb.unl.edu.ar> wrote:
> Hi all
> I have a micelle trajectory formed by 30 molecules, and I would like to
> obtain the order parameters of each acyl chain moieties. I've tried using
> the option -radial, but I'm not sure about the result. What will be the
> director that it will be used in the calculation? It will be a vector from
> the center of mass to.....what? the tool is not asking for any terminal
> atom to calculate the end of the director. Probably I'm wrong, but I'm not
> sure how to continue.
> Any help will be very appreciated!
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