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alces-software / flight-appliance-docs

Documentation for deploying and using Alces Flight Appliances
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New tutorial: Using NAMD with Flight Compute #30

Closed vlj91 closed 7 years ago

vlj91 commented 8 years ago

There's quite a lot of steps to get going (building protein structures to use etc) to the 'using NAMD' bit, so I've done those and packaged them up. This cuts the tutorial down to actually just using NAMD.

If you would rather the prerequisite steps were included, I can modify it to include those steps.

The tutorial is roughly based on: http://www.ks.uiuc.edu/Training/Tutorials/namd/namd-tutorial-unix.pdf

vlj91 commented 8 years ago

@wdm78 if you could check this when possible please - if you can't build a copy locally I can create a protected build on RTD

wdm78 commented 8 years ago

@vlj91 - Yes please; if you can build it on RTD and point me at it please, then I'll take a look thru. Thanks!

vlj91 commented 8 years ago

Private build: http://docs.alces-flight.com/en/tutorials-namd/getting-started/environment-usage/using-namd-with-alces-flight-compute.html

wdm78 commented 7 years ago

This tutorial has been rewritten and added to 2016.4 docs - this PR can be closed