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0.16.1 Auto Expanded Cutoffs and bug fixes for Transition Matrix and Reporter
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@Lnaden Lnaden released this 05 Jun 17:25
· 1165 commits to master since this release
0.16.1
99cec35
  • Expanded cutoff now able to be chosen automatically instead of just hard coded number
  • Restraint parameters can now be specified in the YAML file which pass to restraints API
  • Fixes bug causing transition matrix to be computed incorrectly, uses empirical to estimate
  • Allows user to drop samples equilibration report to avoid plot scale being dominated by initial fast equilibration
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