[gmx-users] Calculation of instantaneous dipole moment through Gromacs

Deepak Ojha alwaysinthemind at gmail.com
Fri Jul 6 21:07:18 CEST 2012

Dear All
I want to obtain the instantaneous dipole moment as an output for the
OH bond in the pure  water molecule  simulation.
Given the conditions that most of the water models have fixed
coordinates and charges during the course of simulation
how can I get the same.Is there any possibility of using polarizable
water model with flexible charges in GROMACS.

DeepaK Ojha

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