jag1g13 / pdb2lmp

Convert PDB files to LAMMPS data and force field files.
MIT License
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Add other forcefields to database #3

Open jag1g13 opened 7 years ago

jag1g13 commented 7 years ago

Adding other forcefields to the parameter database would allow users to simulate a much wider range of systems without having to create the input files themselves.

Could benefit from a script to convert ff databases from other MD engines (e.g. Gromacs) to PDB2LMP format.

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