[gmx-users] g_dipoles with net charge

[李浩]

Dear gmx users:

I am using gms 4.07, my system contains a protein with net charge and a
plain,here I want to calculate the the angle between the dipoles of protein
and the XY plain vs. time. What should I do?

  And is this way right:

I define a positive center and a negative center, and define a vector which
point from the negative center to the positive center, and the angle between
the vector and the plain is what I want?

Or the “g_dipoles” command is exactly doing the way I mentioned before? If
so ,please tell me the details on how to get the results use this command!

 

Thanks a lot!

                                                                      Li

 

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