Added:
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Changed:
- Plain MD simulations now write out PDBs with periodicity shifts consistent with the simulation XTC file (PR #1302).
- The simulation log file written during plain MD simulations now starts from zero rather than including the steps from the equilibration.
Deprecated:
- <news item>
Removed:
- <news item>
Fixed:
- <news item>
Security:
- <news item>