Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

Home Page:https://gromacswrapper.readthedocs.org

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remove fileformats.itp

orbeckst opened this issue · comments

We are not going to fix anything in the experimental ITP parser, there are no tests, and whole bunch of issues (#5, #6, #8, #9). ParmEd (with parmed.gromacs solves this problem properly.

  • remove fileformats.itp
  • remove preprocessor.py (only needed by itp)

closed in PR #140