OpenMM Installation Issue

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Akshaya Ranjit
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Joined: Thu Jun 13, 2024 9:57 am

OpenMM Installation Issue

Post by Akshaya Ranjit » Thu Jun 13, 2024 10:05 am

Hello!

I'm currently trying to install OpenMM on my Windows machine. I used Miniconda and used the "conda install -c conda-forge openmm" command. All the packages installed properly, but when I tried to check that my installation was successful using the "python -m simtk.testInstallation" command, I received the following error: No module named simtk.testInstallation.
I used dir to try and figure out where simtk was, and the results said that simtk had 0 bytes. When I use my File Explorer, I can see all the files and packages I got through my original download. Not really sure what's wrong, but I also can't run the example simulation because no simtk module can be found. Do you know what might be wrong?

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Peter Eastman
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Joined: Thu Aug 09, 2007 1:25 pm

Re: OpenMM Installation Issue

Post by Peter Eastman » Thu Jun 13, 2024 11:44 am

The correct command to test it is

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python -m openmm.testInstallation
Are you looking at an old version of the documentation?

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Akshaya Ranjit
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Joined: Thu Jun 13, 2024 9:57 am

Re: OpenMM Installation Issue

Post by Akshaya Ranjit » Thu Jun 13, 2024 11:58 am

That worked, thank you so much! I used the latest documentation that I could find: http://docs.openmm.org/7.5.0/userguide/ ... ing-openmm.

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