Comments (1)
Dear mtrellet,
Thank you for your bug report. Indeed, the plugin was changing bad md.mdp parameter. The proper one should be "nsteps". This is now fixed in master branch and 2.0 branch.
Best regards,
from dynamics.
Related Issues (20)
- Gromacs : /bin/sh: gmx: command not found HOT 1
- unable to start GROMACS plugin HOT 1
- Plugin coded using Python2, PyMol2.5 runs with Python3 HOT 1
- Missing parentheses in call to 'print' HOT 1
- Make tk window with information about missing GROMACS
- Add genion support HOT 1
- GROMACS 5.0 will not work with "ns_type = simple"
- Automated testing HOT 1
- Plugin fails simulation on protein-ligand complex system
- Fix importing saves from plugin 2.0 to 2.1
- Plugin compatibility between Pymol on Windows and Gromacs on Windows 10 WSL HOT 1
- concatenate error
- Transfer software to private account
- Better GROMACS error handling
- Compatibility for PyMOL 2.0 HOT 2
- Port to PyQt5 HOT 2
- Default implicit solvent fails with GROMACS 2018 HOT 1
- Plugin crashes with GROMACS with MPI
- PyMOL-2.5.0a0/Gromacs / TK Error HOT 3
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from dynamics.