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Re: [lammps-users] General questions
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Re: [lammps-users] General questions


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 9 Sep 2017 08:29:37 -0400



On Sat, Sep 9, 2017 at 8:02 AM, A. M.M <alaa.murar@...24...> wrote:
بسم الله الرحمن الرحيم

1. I would to perform a Brownian dynamics simulations, and I used fix langevin along with fix nve as mentioned in LAMMPS documentations, but I have a question which is 

Brownian dynamics is used when implicit solvent is introduced in the simulation, whatever this solvent be it has a viscosity, so how I can introduce this viscosity with these commands ? 

it is determined by the "damp" parameter. ​please see the fix langevin docs. look for the drag force.


2. How I can perform a simulation without boundaries ( No simulation box ) ?

​you cannot.​
 

3. How I can use a pair style coul/debye without a cutoff radius ( along with the previous question ) ?

​you cannot.​


axel.

Thanks

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.