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exercises:2015_ethz_mmm:alanine_dipeptide

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 exercises:2015_ethz_mmm:alanine_dipeptide [2015/03/03 22:26]dpasserone exercises:2015_ethz_mmm:alanine_dipeptide [2015/03/06 02:40]dpasserone Both sides previous revision Previous revision 2015/03/06 02:40 dpasserone 2015/03/03 22:26 dpasserone 2015/02/27 09:02 yakutovich 2015/02/27 07:58 dpasserone 2015/02/26 15:56 yakutovich 2015/02/26 15:35 yakutovich 2015/02/06 17:49 external edit 2015/03/06 02:40 dpasserone 2015/03/03 22:26 dpasserone 2015/02/27 09:02 yakutovich 2015/02/27 07:58 dpasserone 2015/02/26 15:56 yakutovich 2015/02/26 15:35 yakutovich 2015/02/06 17:49 external edit Line 2: Line 2: - TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE IN DANIELE PASSERONE DIR) IN THE INTERACTIVE SHELL: + TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE) IN THE INTERACTIVE SHELL: - you@eulerX ~$. ~danielep/​Scripts/​m_functions.bash + you@eulerX ~$ module load courses mmm ; mmm-init ​ + Alanine dipeptide is often studied in theoretical work because it is among the simplest systems to exhibit some of the important features common to biomolecules. It has more than one long-lived conformational state. The relevant angles are the dihedral angles of the backbone, commonly called Φ and Ψ (see figure). In the following scheme, light blue atoms are carbons, white ones are hydrogens, red are oxygens, and blue are nitrogens. So the torsional angle Φ is C-N-C-C and Ψ is N-C-C-N along the backbone. Alanine dipeptide is often studied in theoretical work because it is among the simplest systems to exhibit some of the important features common to biomolecules. It has more than one long-lived conformational state. The relevant angles are the dihedral angles of the backbone, commonly called Φ and Ψ (see figure). In the following scheme, light blue atoms are carbons, white ones are hydrogens, red are oxygens, and blue are nitrogens. So the torsional angle Φ is C-N-C-C and Ψ is N-C-C-N along the backbone.