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Re: [lammps-users] lost atoms with fix wall/srd
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Re: [lammps-users] lost atoms with fix wall/srd

From: Michał Kański <michal.kanski@...2460...>
Date: Wed, 15 Nov 2017 12:58:47 +0000

Change boundary to m m m and visualize the trajectory of your system to make sure from where and which atoms are escaping.





Od: dry6211@...24... <dry6211@...24...>
Wysłane: Wednesday, November 15, 2017 12:55:05 PM
Do: lammps-users
Temat: [lammps-users] lost atoms with fix wall/srd
Dear lammps users,

Now I'm trying to simulate colloidal particles with hydrodynamics using fix srd command. If I set all the boundary conditions to periodic, the simulation runs well. But if I just add two walls (use fix wall/srd) and change the corresponding boundaries to fixed, the simulation will always run a little while and end with errors of lost atoms (and a big number of atoms, so must be srd particles). I'm really surprised and I thought it should be easy to bound the srd particles between walls by simply using fix wall/srd command. What did I miss? BTW, I use fix wall lj/126 to bound colloidal particles, but as they are far from the wall, I don't think they are interacting with it when the error occurs.

Thank you so much for your help!

Best regards,

Ruoyu Dong