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exercises:2015_ethz_mmm:alanine_dipeptide

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exercises:2015_ethz_mmm:alanine_dipeptide [2015/02/26 15:56] yakutovichexercises:2015_ethz_mmm:alanine_dipeptide [2015/02/27 07:58] dpasserone
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 </code> </code>
  
 +<note important>
 +Changing into the directory **Logs** you fill find files of the kind **opt.?.?.pdb** . You can now verify that the target torsional angles have been reached. To this end you can either use the graphical program **vmd** (first, load the module with **module load vmd**) or the function 
 +m_pdbtorsion:
 +<code>
 +you@brutusX exercise_2.2/Logs$ m_pdbtorsion 5 7 9 15 ; m_pdbtorsion 7 9 15 17 
 +</code>
 +
 +for the two dihedral **Phi** and **Psi**.
 +
 +
 +</note>
 To clean the output and unnecessary files and do it again, To clean the output and unnecessary files and do it again,
  
exercises/2015_ethz_mmm/alanine_dipeptide.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1