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[ESPResSo] simplebilayer-mbtool


From: Salvador Herrera Velarde
Subject: [ESPResSo] simplebilayer-mbtool
Date: Thu, 05 Feb 2009 11:47:30 -0600

Dear ESPResSO team,
 
I am working with the examples simulations included in package mbtools, in
 particular with the script: simplebilayer.tcl and I ran into some troubles when I tried to run the simulation.

For different observables I got the next messages:

i) Observable: Orient order parameter   script: oop.tcl
Message: The operation "lipid_orient_order" you requested is not
implemented.

 ii) Observable: flip-flop rate       scritps: flipflop.tcl  and stray.tcl
The operation "get_lipid_orients" you requested is not implemented.

iii) Observable: fluctuations       script: fluctuations.tcl
The operation "modes2d" you requested is not implemented.

I don't know how to handle these problems. It is something wrong with my
ESPResSO installation?

By the way, in the ESPResSO user's guide Chapter 8 (Analysis) , I found in a yellow inset the next lines:

" Missing:
radial_density_map,
modes2d,
get_lipid_orients,
get_folded_positions,
bilayer_set,
bilayer_density_profile,
lipid_orient_order,
cell_gpb, Vkappa "

I don't understand what that means, maybe that these procedures are not implemented in ESPResSO?

Could you help me to handle this trouble?

All the best,
Salvador
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