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OPLSAA2023 water models fixed and moltemplate.sh bug fixed

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@jewettaij jewettaij released this 08 Dec 05:25
· 2 commits to master since this release
  • Fixed a bug in moltemplate.sh. (The bug was introduced when releasing OPLSAA(2023) in version 2.21.1)
  • OPLSAA 2023 water models were tested and are working.
  • Numerous examples were debugged and updated.
  • File names and atom type names have changed (for water models and the alkane examples).