[gmx-users] dipole orientation analysis
ruiqiao at ews.uiuc.edu
Thu Mar 21 18:56:48 CET 2002
I am trying to analysis the dipole orientation of my
simulation. (water dipole). I write a short code for this prupose but find
that the dipole direction (with respect to z axis) shows peak for 90
degree. Since I am just using a box of water, I do expect that the dipole
direction to be uniform for all angles.
I am wondering if there are some available code in Gromacs can be
used for this purpose? The g_dipoles does not seems to offer the
capability of calculating dipole orientation.
Beckman Institute, UIUC
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