Hello Does g_dipole take the center of mass of a molecule as the origin when calculates its dipole moment? If yes, is it the com at t=0 that is used or is it re-calculated for every frame?
I had look at the source code but it wasn't very clear to me. Thank you very much in advance. Best wishes George Dr. George Patargias Polymer IRC Group University of Leeds Leeds, LS2 9JT, UK _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
