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NVIDIA / ngc-container-environment-modules

Environment modules for NGC containers
MIT License
29 stars 7 forks source link

Add NAMD 3.0-alpha3-singlenode module #6

Closed lgorenstein closed 3 years ago

lgorenstein commented 3 years ago

Mostly just changed version numbers/names (including namd2 to namd3).

In addition, this container has vmd alongside with NAMD executables, so I added vmd to the list f recognized commands.

However, attempts to launch vmd fail with an if: Badly formed number error Edit: Nevermind the error, self-inflicted wound from my own ~/.cshrc.

samcmill commented 3 years ago

Looks good to me. Thanks!