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Can PaCS-Toolkit be applied to Lammps simulators? #5

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sfmnewbie opened this issue Oct 14, 2024 · 2 comments
Open

Can PaCS-Toolkit be applied to Lammps simulators? #5

sfmnewbie opened this issue Oct 14, 2024 · 2 comments

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@sfmnewbie
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PaCS-Toolkit is a very important and very significant tool, can it support lammps emulators?
@kh01734
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kh01734 commented Oct 16, 2024

Currently, LAMMPS is not supported. GROMACS, AMBER, and NAMD are supported (with GROMACS being especially well tested).
Since PaCS-Toolkit is primarily developed for biomolecular simulations, we do not have plans to develop LAMMPS applications at this time.
However, if you specifically need LAMMPS support, you are welcome to fork the repository and develop your own version of PaCS-Toolkit.

@sfmnewbie
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Thank you!

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@kh01734 @sfmnewbie