exercises:2017_uzh_acpc2:mol_sol
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Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
exercises:2017_uzh_acpc2:mol_sol [2017/05/04 15:02] – [Water] jglan | exercises:2017_uzh_acpc2:mol_sol [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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- | ====== | + | ====== |
===== Ramachandran plot ===== | ===== Ramachandran plot ===== | ||
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In particular, it has more than one long-lived conformation, | In particular, it has more than one long-lived conformation, | ||
- | The conformations of alanine | + | The conformations of glyala |
Below, we color carbons in green, hydrogens in white, oxygen in red and nitrogen in blue, i.e. | Below, we color carbons in green, hydrogens in white, oxygen in red and nitrogen in blue, i.e. | ||
the torsional angle $\phi$ is N-C-C-N , while $\psi$ is C-N-C-C along the backbone. | the torsional angle $\phi$ is N-C-C-N , while $\psi$ is C-N-C-C along the backbone. | ||
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- The atomic indices defining the dihedral indices in the input file '' | - The atomic indices defining the dihedral indices in the input file '' | ||
- Use '' | - Use '' | ||
- | - Use gnuplot to plot the potential energy surface (we have provided a script '' | + | - Use gnuplot to plot the potential energy surface (we have provided a script '' |
</ | </ | ||
===== Water ===== | ===== Water ===== |
exercises/2017_uzh_acpc2/mol_sol.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1