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File naming in GROMACS tutorial/example #4

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zhmurov opened this issue Oct 18, 2023 · 1 comment
Open

File naming in GROMACS tutorial/example #4

zhmurov opened this issue Oct 18, 2023 · 1 comment

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@zhmurov
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zhmurov commented Oct 18, 2023

  1. Files should be unique for all the stages (not topol.top, etc).
  2. Files should be explicitly listed in all commands
  3. Consider numbering the files so that they will appear roughly in the same order as they are created.
@zhmurov
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zhmurov commented Nov 29, 2023

Some gmx utilities do not allow to name input/output topologies differently.

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