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Re: [lammps-users] trouble using rigid bodies in simulation (lost atoms)
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Re: [lammps-users] trouble using rigid bodies in simulation (lost atoms)

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 13 Oct 2017 10:27:13 -0400

On Fri, Oct 13, 2017 at 10:12 AM, surendra jain <jainsk.iitkgp@...24...> wrote:
> Dear LAMMPS users,
>   I am doing a MD simulation for CO2 in porous carbon models. I model
> the CO2 molecule as rigid. However, I am getting "Lost atoms" as
> error. I am attaching the log file. I will appreciate if somebody can
> provide some help.

you have posted the same question before and have received suggestions
on how to resolve this.
before asking the same question again, please also describe what you
have done on your own to address the problem.
as far as i can see, your input is still cluttered with irrelevant,
commented out commands, your timestep seems large and your langevin
thermostat time constant small. the latter can hide other problems,
e.g. bad force field parameters.


> Best Regards,
> Surendra
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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.