[lammps-users] Modify minimization

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1

Hello Steve,

I want to modify the minimization process of the software so that it can make
minimization to any group of atoms. Besides changing fixarg[1] from "all" into
another group ID in file min_cg.cpp, what else should I do to the program?
Thanks,

Wen

2

I guess what you can do is not to modify the code but use
the “fix setforce” to zero the force on the group of atoms
that you do not want to relax.