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NAMD performance tuning concepts
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NAMD Git-2022-07-21 User's Guide
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Pressure profile calculations
Performance Tuning
Subsections
NAMD performance tuning concepts
Measuring performance.
NAMD configuration and I/O performance.
Computational (arithmetic) performance.
Networking performance.
Non-bonded interaction distance-testing
http://www.ks.uiuc.edu/Research/namd/
