[gmx-users] Can't observe ion separation under the influence of electric field
Live King
vikasdubey1008 at gmail.com
Wed Feb 12 23:08:02 CET 2020
Dear all,
I am running a simple test case with a lipid bilayer (DMPC), water, and
ions (150mM KCL) under the influence of a constant electric field ( 300mV,
500mV, and 700mV). *I expected positive and negative ions to separate in
the presence of an external electric field*. However, I am not observing
such behavior despite running the all-atom simulation for 400ns in any
case. I am using gromacs 2018.2, my mdp file is standard charmm-gui
production with electric field option.
for example 500mV electric field in Z-direction :
electric-field-z = 0.060 0 0 0 ; *500**mv = 8.25nm* 0.060 =
500 mV *
Are there any settings to run the electric field simulation that I miss?
Any help will be greatly appreciated.
Thank you,
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