[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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