[gmx-users] mdrun log file question

Hanin Omar hanin_omar85 at yahoo.com
Thu May 9 20:50:49 CEST 2019


hello all,I am running an md simulation using gromacs 2019 with RDC restraints added in all steps, now in my log file i get something like this Orientation experiment 1:
    order parameter: -0.00156791
    eig:  1.000   -0.085  0.037  0.996
    eig: -0.636   -0.144  0.988 -0.049
    eig: -0.364    0.986  0.148  0.079

  Orientation experiment 2:
    order parameter: 0.00196219
    eig:  1.000    0.497  0.569  0.655
    eig: -0.596    0.785  0.027 -0.619
    eig: -0.404    0.370 -0.822  0.434
so my question is what does the order parameter her represents, is it a scalling factor for the eigen values or something elsecan someone help me with thisThank youHanin OMar


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