You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
{{ message }}
This repository has been archived by the owner on Jan 26, 2022. It is now read-only.
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?
The text was updated successfully, but these errors were encountered:
Sign up for freeto subscribe to this conversation on GitHub.
Already have an account?
Sign in.
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?
The text was updated successfully, but these errors were encountered: