Questions tagged [software-assistance]
Questions asking for assistance with the use or compilation of a software.
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questions with no upvoted or accepted answers
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Why VESTA displays much more atoms beyond the cell boundaries?
I was trying to follow this recipe, NanoCrystal / Graphene Heterostructure in VESTA step by step but instead of an Au nanocrystal, I put a small graphene nanoflake approximately 3.35 Å on top of ...
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ORCA: Getting the error "mpirun noticed that process rank 0 with PID 383161 on node exited on signal 11 (Segmentation fault)."
I am getting a segmentation fault error when running the following input file below. The calculation runs fine in gas phase and CPCM modes, but fails with SMD. What could be the issue? Some are saying ...
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Autodock prepare_receptor4.py script gives error while converting pdb files to pdbqt files
Cross-posted on Chemistry.SE.
I am trying to make pdbqt files from pdb files for Docking with Autodock vina but getting errors while running the prepare_receptor4.py script present in the mgltools ...
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