Macs in Chemistry

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OpenMM update


OpenMM version 7.7.0 has been released

A major focus of this release is on improved force field support. The following have been added.

  • GLYCAM is now available for use with Amber14. This is a force field for simulating carbohydrates and glycosylated proteins.
  • GBSA implicit solvent is now available for use with Amber14 and CHARMM36. We previously had it for earlier Amber force fields, but not for the more recent ones.
  • AMOEBA 2018 is now available, superseding the older 2013 version.

Full details here

ARM based Macs are fully supported.

OpenMM is a toolkit for molecular simulation using high performance GPU code

conda install -c conda-forge openmm
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