[gmx-users] g_dipoles with net charge

李浩 lihaotj at gmail.com
Sun Oct 9 09:35:18 CEST 2011

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!



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111009/a4605c17/attachment.html>

More information about the gromacs.org_gmx-users mailing list