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Feature #3378

genion usage without stdin (facilitates use in gmx python api)

Added by Christian Blau about 2 months ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
-
Target version:
-
Difficulty:
uncategorized
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Description

#request

Using gmx genion requires command line input to select the index group of solvent molecules.

It does not allow for the -sel syntax and thus the only way to use the tool without command line input is an indexfile with exactly one index group in it, which is cumbersome to users.

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