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PyCGTOOL Release - 1.0.1
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@jag1g13 jag1g13 released this 27 Apr 15:27
v1.0.1
ede6ec5

Bugfixes:

  • GROMACS potential type ids are now written correctly to output itp files

Improvements:

  • Significant (25-30%) performance improvement in membrane test case (many molecules being converted in each frame)
  • More human-readable error messages to catch common mistakes in input files
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