88365ea6e4
Numerous fixes and improvements since 18.169 Changes: https://github.com/m3g/packmol/releases Release maintainership to ports@ PR: 283265 Reported by: alster@vinterdalen.se
13 lines
536 B
Plaintext
13 lines
536 B
Plaintext
PACKMOL creates an initial point for molecular dynamics simulations by
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packing molecules in defined regions of space. The packing guarantees
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that short range repulsive interactions do not disrupt the
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simulations.
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The package is compatible with input files of PDB, TINKER, XYZ and
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MOLDY formats.
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See also: ComplexMixtures.jl: A powerful package to understand
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solvation structures in complex solutions. CellListMap.jl: Efficient
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and customizable cell list data structure for molecular simulations
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and customizable simulation analysis.
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