OpenMM 8.5.0 installed

OpenMM 8.5.0 was installed. Job samples are available in /apl/openmm/8.5.0/samples.

OpenMM is installed in the conda environment. This conda environment also contains following packages.

• mdanalysis-2.10.0
• mdtraj-1.11.1
• openmm-setup-1.7.0
• openmmtools-0.26.0
• pdbfixer-1.12
• ambertools-dac-25.3.0

A brief overview of the installation can be found in https://ccportal.ims.ac.jp/en/node/3967.