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[lammps-users] Issues with PPPM errors
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[lammps-users] Issues with PPPM errors


From: Jonathan Torstensen <jonators@...24...>
Date: Wed, 11 Oct 2017 09:04:22 +0200

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,