Anisotropic Network Model: Difference between revisions

Revision as of 18:47, 4 May 2010

Revision as of 18:47, 4 May 2010

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which can then be written as, <br />

<math>H_{ij} = {-\gamma\over {s_{ij}}^2} \begin{bmatrix} (x_j - x_i)\\(y_j - y_i)\\(z_j-z_i) \end{bmatrix} \begin{bmatrix} (x_j - x_i) & (y_j - y_i) & (z_j-z_i) \end{bmatrix}</math><br />

Here, the force constant matrix, or the hessian matrix H holds information about the orientation of the nodes, but not about the type of the interaction (such is whether the interaction is covalent or non-covalent, hydrophobic or non-hydrophobic, etc.). In addition, the distance between the interacting nodes is not considered directly. To account for the distance between the interactions we can weight each interaction between nodes i, j by the distance, sp. The new off-diagonal elements of the Hessian matrix take the below form, where p is an empirical parameter:<br />