Skip to content

0.16.2 Startup Speed and Reduced File Sizes
Compare
Choose a tag to compare
@Lnaden Lnaden released this 07 Jul 20:45
· 1150 commits to master since this release
0.16.2
fb3af54

This release helps reduce the initial file sizes of your analysis files by compressing the objects to recreate the alchemical systems. This gives over 10x reduction in the initial file sizes, and saves minutes off the initial start up before simulations start.

  • Automatic Expanded Cutoff Distance Selection
  • Compressed stored systems drastically reduce initial file sizes
    • Requires OpenMMTools 0.11.2, minimum version updated
  • Use C Yaml Dumper and Loaders to speed up YAML object processing
Assets 2
Loading