[lammps-users] PCFF input

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1

Steve,

                 I want to use PCFF to model interaction between C & Si atoms. I want to know whether i have to include the information about dihedrals, impropels for the simulation system. I have the coordinates of all atoms. But i need to generate information on bonds, angels etc.. I want to know what is the best way to generate this information..

Thanks
Ajit

2

Does PCFF define a potential for C and Si, and if so,
how does it define bonds, angles, etc? If you know
the answer to that, then you can create LAMMPS input
files accordingly. E.g. with other tools that dump out
PCFF configurations.

Steve