[gmx-users] gmx_dipoles Mtot and aver difference

Raag Saluja saluja.raag at gmail.com
Thu Aug 23 06:52:43 CEST 2018


I was comparing the dipole moments of a few proteins. The results of the
Mtot and the aver files are diametrically opposite to each other. The
proteins with the max dipole moments according to the Mtot files, are the
ones with the least dipole moments according to the aver files. What is the
difference between Mtot and aver? Why am I getting such results?

Thank you in advance!


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