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README.md

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GMXPlumed

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Software versions

  • Gromacs v2019.6
  • Plumed v2.6.1
  • CUDA v10.0
  • Ubuntu v16.04

Notes

Gromacs is configured to use AVX2_256 instructions and will therefore run only on newest Intel hardware. MPI is enabled for PLUMED, while Gromacs is compiled with gcc with OpenMP threading only.