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Bug #483

remove code duplication from g_membed

Added by Rossen Apostolov over 9 years ago. Updated about 9 years ago.

Status:
Closed
Priority:
Normal
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

gmx_membed.c contains a lot duplicated code from md.c etc. and patches need to be applied at multiple files.

History

#1 Updated by Berk Hess over 9 years ago

I first mailed Maarten Wolf, who is the author of g_membed,
that a proper API would solve this issue.
But thinking more about it, I realized that g_membed is not a new tool,
but rather a small extension of mdrun.
Therefore I would suggest an extra input file to mdrun, similar in spirit
to the old pull code implementation, to pass the extra parameters
to some extra functions in mdrun.

PS I assigned the bug to Gerrit, since Maarten does not have a bugzilla account.

Berk

#2 Updated by Maarten Wolf about 9 years ago

Moved g_membed functionality to mdrun

#3 Updated by Berk Hess about 9 years ago

I saw you committed this only in git master and not in the 4.5 release.
I don't know if we would want that or not.
(don't do it right away, because we might have merge conflicts.)

Berk

#4 Updated by Erik Lindahl about 9 years ago

Let's not add this in release-4-5 patches; there's nothing wrong with the code, so let's restrict that branch to bugfixes!

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