diff --git a/README.md b/README.md index 978c28ac3f13783e1ba039997faf6e1df58d3462..10613530dcdcbc44dee1fa9eae2536e320e3c247 100644 --- a/README.md +++ b/README.md @@ -35,6 +35,13 @@ PyCGTOOL requires Python 3.6 or higher and may be installed using pip: pip install pycgtool ``` +### MDTraj on macOS + +On some macOS builds, with some versions of the Clang compiler, MDTraj fails to load GROMACS XTC simulation trajectories. +If you encounter this issue, try using Conda to install MDTraj. + +For more information see this issue: [MDTraj/#1572](https://github.com/mdtraj/mdtraj/issues/1572). + ## Usage Input to PyCGTOOL is GROMACS GRO and XTC files, along with two custom files: MAP and BND. These files provide the atomistic-to-CG mapping and bonded topology respectively. Example files are present in the [test/data](https://github.com/jag1g13/pycgtool/tree/master/test/data) directory. The format of these files is described in the [full documentation](https://pycgtool.readthedocs.io/en/master/index.html).