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Molecular dynamics by NMR data analysis

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Commit [r26459] Maximize Restore History

Added the torsionless pseudo-ellipse model to the frame order matrix element simulation script.

The generated Grace graphs containing the matrix values for 1,000,000 simulation values have been
added to the repository. The rotations are generated by the rotation_hypersphere_torsionless()
method and the angle violations checked using the inside_pseudo_ellipse() method.

Authored by: bugman 2014-11-09

Browse code at this revision

Parent: [r26458]

Child: [r26460]

added	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_pseudo-ellipse_torsionless_in_frame_theta_x_ens1000000.agr
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added	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_pseudo-ellipse_torsionless_out_of_frame_theta_y_ens1000000.agr
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/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_pseudo-ellipse_torsionless_in_frame_theta_y_ens1000000.agr Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_pseudo-ellipse_torsionless_out_of_frame_theta_x_ens1000000.agr Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_pseudo-ellipse_torsionless_out_of_frame_theta_y_ens1000000.agr Diff Switch to side-by-side view