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Bug #627

Improving grompp documentation

Added by Justin Lemkul almost 9 years ago. Updated over 8 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
documentation
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Per the discussion on the users' list (http://lists.gromacs.org/pipermail/gmx-users/2010-December/057140.html), I would suggest that the help information generated by grompp be amended to prevent users from casually employing -maxwarn when they shouldn't. Proposed changes:

1. Additional information in the one-line summary of the -maxwarn option. Presently it says "Number of allowed warnings during input processing." I would suggest it be amended to say "Number of allowed
warnings during input processing. Not for normal use and may generate unstable systems."

2. Adding mention of -maxwarn in the -h output, i.e. "The -maxwarn option can be used to override warnings printed by grompp that otherwise halt output. In some cases, warnings are harmless, but usually are not. The user is advised to carefully interpret the output messages before attempting to bypass them with this option."

Associated revisions

Revision f9a9acb6 (diff)
Added by Justin Lemkul almost 9 years ago

Fixes to grompp -maxwarn documentation. Issue ID #627

History

#1 Updated by Justin Lemkul almost 9 years ago

  • Assignee changed from David van der Spoel to Justin Lemkul

#2 Updated by Justin Lemkul almost 9 years ago

  • Status changed from New to 3

Amended text as proposed in commit f9a9acb6.

#3 Updated by Justin Lemkul almost 9 years ago

  • % Done changed from 0 to 100

#4 Updated by Justin Lemkul over 8 years ago

  • Status changed from 3 to Closed

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