CP2K Open Source Molecular Dynamics

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exercises:2018_uzh_acpc2:mol_sol

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exercises:2018_uzh_acpc2:mol_sol [2018/05/08 11:09] – jglanexercises:2018_uzh_acpc2:mol_sol [2018/05/08 11:12] – [Ramachandran plot] jglan
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 Visualize the structure ''glyala.pdb'' with VMD and determine the atomic indices of the atoms defining the dihedral angles. Visualize the structure ''glyala.pdb'' with VMD and determine the atomic indices of the atoms defining the dihedral angles.
 </note> </note>
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 +<note important>The index number in VMD is different from the number in CP2K, as the index start from 0 in VMD, 1 in CP2K. Thus, one need to specify index number + 1 obtained from VMD</note>
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 With this knowledge at hand, With this knowledge at hand,
exercises/2018_uzh_acpc2/mol_sol.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1