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[lammps-users] out of range atoms - cannot compute PPPM
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[lammps-users] out of range atoms - cannot compute PPPM


From: Jana Pritam <pritam.jana@...3660...>
Date: Sun, 18 Jun 2017 14:05:05 +0000

Dear all,
I am using SPCE/fw water model for NPT simulation with periodic boundary condition along x,y,z. I use fix shake command. I obtain an error with "out of range atoms - cannot compute PPPM”
Could you please help me to overcome this problem? If you need more information I will be happy to supply it.
Best
Pritam
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