Questions tagged [openpathsampling]

Questions about the OpenPathSampling (OPS) software for path sampling methods, such as transition path sampling (TPS) and transition interface sampling (TIS).

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Setting multiple new atype/dtype/itype with LAMMPS fix bond/create [closed]

When creating a new bond in a LAMMPS simulation with the command fix/bond create it is likely new angles/dihedrals/impropers be need to be set. This can be done with the atype/dtype/itype arguments ...