[gmx-users] Calculation of instantaneous dipole moment through Gromacs
alwaysinthemind at gmail.com
Fri Jul 6 21:07:18 CEST 2012
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.
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