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[lammps-users] Inquiry on special_bonds and first weighting coefficient
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[lammps-users] Inquiry on special_bonds and first weighting coefficient


From: MASATO KOIZUMI <mkoizumi@...3709...>
Date: Mon, 16 Oct 2017 09:37:30 -0700

Dear LAMMPS users,

Hello. I would like for a clarification on special_bonds command. I understand that special_bonds only applies to non-bonded interactions, and not bonded terms. If this is the case, then I was curious if you could inform me the first of the three weighting coefficients as the input argument for special_bonds such as 

special_bonds 0.0 1.0 1.0

If special_bonds only applies to non-bonded interactions, then I was curious if you could inform me the role of the first weighting coefficients which determines the weight of the LJ contributions to the 1-2 pairwise interactions. Is 1-2 pairwise interaction same as the bonded interaction? Thank you.

Sincerely,

Masato Koizumi