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Bug #173

Unable to run genrestr due to a "Fatal error"

Added by Daniel Larsson about 12 years ago. Updated about 11 years ago.

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

Invoking genrestr (the lastest CVS head version) to produce a position restrain file with this command:

genrestr -f tmp.pdb

causes the program to exit with this error:

-------------------------------------------------------
Program genrestr, VERSION 3.3.99_development_20070813
Source code file: /home/spoel/GROMACS/head/gmx/src/gmxlib/pargs.c, line: 211

Fatal error:
No such option disre_dist in pargs
-------------------------------------------------------

I have tried several different structure files, one example is the crystal structure 2BUK.pdb from genbank.

Might be an incorrect default assignment of a parameter variable.

History

#1 Updated by Daniel Larsson about 12 years ago

My comment doesn't seem to show up on the bugzilla bug page, so I add it again here:

Invoking genrestr with this command:

genrestr -f tmp.pdb

to produce a posre.itp file results in this error:

-------------------------------------------------------
Program genrestr, VERSION 3.3.99_development_20070813
Source code file: /home/spoel/GROMACS/head/gmx/src/gmxlib/pargs.c, line: 211

Fatal error:
No such option disre_dist in pargs
-------------------------------------------------------

It seems to be independent of input file (I've tried a couple of different, e.g. genbank 2.BUK.pdb)

#2 Updated by Erik Lindahl about 11 years ago

Option was missing a dash when calling opt2parg_bSet(). Fixed in 4.0 branch.

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