LAMMPS WARNING: Bond/angle/dihedral extent > half of periodic box length. How to rectify it?

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How to fix the following mpirun error?

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How can I edit suggested publications?

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Can you perform the Murexide test on samples fixed in Formalin?

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James McDonagh

Hi, I have never used LAMMPS specifically, but it sounds like your box is too small. Can you not just increase your simulation box?

What molecule are you trying to simulate and how big is your box already? Is the system solvated or in vacuum?

Ramin Ekhteiari Salmas

How do you define or construct the system box? It seems that, there is a main periodic problem in the system.

S. Xavier

Have rectified the error. Changed a potential parameter. It works well