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zhmurov / mdcourse

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File naming in GROMACS tutorial/example #4

Open zhmurov opened 11 months ago

zhmurov commented 11 months ago
  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 commented 9 months ago

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