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cnt-gaff
cnt-gaff PublicForked from bio-phys/cnt-gaff
Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
Python
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lammps
lammps PublicForked from lammps/lammps
Public development project of the LAMMPS MD software package
C++
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