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makson96 / Dynamics

Dynamics PyMOL Plugin
GNU General Public License v3.0
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Gromacs : /bin/sh: gmx: command not found #101

Open christianpoirier opened 3 years ago

christianpoirier commented 3 years ago

We are having problems launching the GROMACS plugin in Pymol version 2.4.0 on macos BigSur 11.2.3. Gromacs 2021 is well installed by following this documentation https://manual.gromacs.org/documentation/current/install-guide/index.html Installing the GROMACS plugin in Pymol is not a problem. When launching the Dynamics PyMOL Plugin (GROMAC) from Pymol, we always get the same error message saying that Pymol cannot find the path to GROMACS. The test_gromacs.txt file says /bin/sh: gmx: command not found I did the same install on 2 different macbooks with the same result. I'm sure I'm missing something. Do you have an idea? Thank you in advance.

k-haru commented 3 years ago

Hi :) I had the same problem and I patched codes for windows WSL2. The problem is seems to be Python's package version (?) problems and Gromacs's stdout changing problems. Note that I'm not familiar with the codes so I really wish the author update the wonderful package. :)