notice(2): charge.pppm: RMS error: 0.00103825

[jude vishnu]

Dear all,

I am using hoomd3.7 . I want to use the long range interaction in my system. I end up getting the error as follows, but the simulation still runs:

notice(2): charge.pppm: RMS error: 0.00103825

What does this error mean?

Also how should I choose the values of gridpoints and order? Should the net charge in the system be zero when using this long range force? Could someone who has worked on this help me out.

Regards,

Jude

[Joshua Anderson]

Jude,

PPPM is an approximate method that is valid if and only if the system charge is neutral. Given the parameters you select, it prints the expected root mean square error of the approximation. For more information, see textbook material or prior publications on the PPPM method.

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

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[jude vishnu]

Thank you for your reply.