a. A set of FF parameters (.ff Folder) -- Lots built into gromacs, but mainly bio related. See attachment for an example of ClayFF. b. Structure file (.pdb/.gro). c. Topology file (.top) -- links the ...
CSIR team has forked this repo into https://github.com/jaheyns/CfdOF in 2017, focusing on usability for new users and OpenFOAM. Meanwhile, this repo still targets at ...
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