Re: [ESPResSo-users] how to fix part of atoms during the simulation?

[Sebastian Bindgen]

Hey!

There is a particle property called ‘fix=[x,y,z]’, if you want to fix a particle in all three directions you have to use: 

part[index].fix = [1,1,1]

http://espressomd.org/html/doc4.0.1/espressomd.html#module-espressomd.particle_data

You can specify this when you set up the particles. The feature requires you to have compiled with ‘external_forces’. 

Regards 

Sebastian

On Thursday, March 7, 2019, Jiaxing Yuan <address@hidden> wrote:

Dear all,

Hello! I am simulating an electrolyte system between two planar charged interfaces. Each charged interface is modelled by using explicit charges forming a 2D square lattice. Whereas the particles in the middle (between two charged plates) are mobile, I would want the surface atoms to be fixed during the simulation.  How to achieve this in espressomd? I noticed there is a command called "kill_particle_forces" in the galilei module, but this seems to be only applied to all the particles in the system if I understand correctly. 

Thank you for any advice on this!

Best,

Jason