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exercises:2015_ethz_mmm:alanine_dipeptide

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exercises:2015_ethz_mmm:alanine_dipeptide [2015/02/27 07:58] dpasseroneexercises:2015_ethz_mmm:alanine_dipeptide [2015/02/27 09:02] yakutovich
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 Then go to the directory “exercise_2.2/ Then go to the directory “exercise_2.2/
 <code> <code>
-you@brutusX ~$ cd exercise_2.2+you@eulerX ~$ cd exercise_2.2
 </code> </code>
  
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 <code> <code>
-you@brutusX exercise_2.2$ module load new cp2k +you@eulerX exercise_2.2$ module load new cp2k 
-you@brutusX exercise_2.2$ bsub < grid_alanine+you@eulerX exercise_2.2$ bsub < grid_alanine
 </code> </code>
  
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 <code> <code>
-you@brutusX exercise_2.2$ gnuplot torsion.gnu+you@eulerX exercise_2.2$ gnuplot torsion.gnu
 </code> </code>
  
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 m_pdbtorsion: m_pdbtorsion:
 <code> <code>
-you@brutusX exercise_2.2/Logs$ m_pdbtorsion 5 7 9 15 ; m_pdbtorsion 7 9 15 17 +you@eulerX exercise_2.2/Logs$ m_pdbtorsion 5 7 9 15 ; m_pdbtorsion 7 9 15 17 
 </code> </code>
  
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 <code> <code>
-you@brutusX exercise_2.2$ ./cleanall+you@eulerX exercise_2.2$ ./cleanall
 </code> </code>
exercises/2015_ethz_mmm/alanine_dipeptide.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1