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Plugin fails simulation on protein-ligand complex system #86

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ghost opened this issue May 23, 2017 · 0 comments
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Plugin fails simulation on protein-ligand complex system #86

ghost opened this issue May 23, 2017 · 0 comments
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ghost commented May 23, 2017

"""
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.
"""

screenshot1
screenshot2

@ghost ghost added this to the Version 2.1 milestone May 23, 2017
@ghost ghost added the bug label May 23, 2017
@ghost ghost removed this from the Version 2.1 milestone Jun 7, 2017
ghost pushed a commit that referenced this issue Jul 12, 2017
@ghost ghost closed this as completed Jul 12, 2017
This issue was closed.
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