Issues with PPPM errors

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1

Hi!

I am running cellulose polymer chains, that I have drwan and calculated (bonds,angels etc) using Maestro.

I keep getting a pppm errors in LAMMPS. Why?

pair_style lj/cut/coul/long 9.0 9.0
pair_modify tail yes
kspace_style pppm 1e-6

Best,

J

2

Hi!

I am running cellulose polymer chains, that I have drwan and calculated
(bonds,angels etc) using Maestro.

I keep getting a pppm errors in LAMMPS. Why?

​there are lots of possible reasons why PPPM may error out. the manual
provides a list of common ones in the Errors chapter.​
​there is not enough information provided here to assess which one applies
in your case.

axel.​