makson96 / Dynamics

Dynamics PyMOL Plugin
GNU General Public License v3.0
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Plugin fails simulation on protein-ligand complex system #86

Closed ghost closed 7 years ago

ghost commented 7 years ago

""" I would to ask a question in using Gromacs pymol plugin.

Is it possible to do the simulation on protein-ligand complex system, because when i call the complex in pymol workspace and starts doing the simulation, i get the error (snapshot1 available).

Secondly, i did the topology generation, solvent, box, ion and energy minimzation seperatly. Then i called the generated em.pdb into pymol workspace, after unchecking the steps (snapshot2 available) and running. I also get the error.

So, Does this plugin only work in protein alone, not protein-ligand complex.

help needed. """

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