A set of scripts and programs that I have developed for my personal use for Electronic Structure and Molecular Dynamics simulations.
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RB_dihedral_fit
connections_moleculeIDs_module
functional_tuning
get_atom_connections_molecule_IDs
makeGRO
topology_script
transfer_integral
LICENSE
README.md
VMD_High_Res_Images.txt

README.md

Sean M. Ryno

A set of scripts and programs that I have developed for my personal use for Electronic Structure and Molecular Dynamics Simulations.

While all scripts and programs here are free to use, I do ask that acknowledgements be made for any published work that uses these scripts.