Re: [ESPResSo] (no subject)

[Tristan Bereau]

Dear Martina,

Up to my knowledge, there is no routine constraining the center of mass of a vesicle: neither at warmup nor during regular runtime. The script sets up a vesicle at the center of the box, and lets it freely evolve. It might *feel* like the vesicle is fixed at the center, but that might just be because the system takes a long time to diffuse. 

If you want to look at the sphere-specific part of the code, you can have a look at how the setup of the vesicle is done: 

$ESPRESSO/packages/mbtools/system_generation/sphere.tcl

Best,

Tristan

On Oct 6, 2009, at 4:11 , martina pannuzzo wrote:

Dear all,

i need to know if in mbtools sphere.tcl script's the center of mass is fixed or after warm it'll be free.which is the script where can i see that?

best regards

Martina

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