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problem about ConvertDataToHDF.py command #410

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smileyujun opened this issue Apr 16, 2014 · 0 comments
Open

problem about ConvertDataToHDF.py command #410

smileyujun opened this issue Apr 16, 2014 · 0 comments

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@smileyujun
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I have a problem about ConvertDataToHDF.py command.The following is my fault durning running:

[root@localhost c1-h21r]# ConvertDataToHDF.py -t 7 -s c1-h21r.pdb -i XTC

MSMBuilder version 2.6.0.dev-Unknown

See file AUTHORS for a list of MSMBuilder contributors.


Copyright 2011 Stanford University.

MSMBuilder comes with ABSOLUTELY NO WARRANTY.

MSMBuilder is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.


Please cite the following references:

GR Bowman, X Huang, and VS Pande. Methods 2009. Using generalized ensemble
simulations and Markov state models to identify conformational states.

KA Beauchamp, GR Bowman, TJ Lane, L Maibaum, IS Haque, VS Pande. JCTC 2011.
MSMBuilder2: Modeling Conformational Dynamics
at the Picosecond to Millisecond Timescale

IS Haque, KA Beauchamp, VS Pande. In preparation.
A Fast 3 x N Matrix Multiply Routine for Calculation of Protein RMSD.

--------------------------------------------------------------------------------{'input_dir': 'XTC',
'min_length': 0,
'pdb': 'c1-h21r.pdb',
'project': 'ProjectInfo.yaml',
'quiet': False,
'rmsd_cutoff': -1,
'source': 'file',
'stride': 7}
12:27:47 - WARNING: Sorting trajectory files by numerical values in their names.12:27:47 - Ensure that numbering is as intended.
12:27:47 - Found 1 traj dirs
段错误 (core dumped)
[root@localhost c1-h21r]#
How can I solve this problem?

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