Running NAMD on Amazon AMI

From: Sanjay Hari (
Date: Wed Sep 04 2019 - 13:05:12 CDT

I want to run NAMD on an Amazon EC2 instance. Fortunately, it looks like there is already an AMI for this exact purpose, and there is even a great tutorial<> on getting it running and accessible through DCV. However, once I am in the AMI environment, what is the best way to actually run NAMD? Specifically, if I just run "namd <input>" does it automatically use the full resources of the instance, or do I need to use charmrun as described in the user guide? Searching the mailing list archive yielded some older results that predate the AMI introduction. Thanks.

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