Hi Live King,
I think the temperature coupling strongly effect on your observation since
the velocity of atoms (ions) will be rescale after every tau-t value. It
means the movement direction of ion under EEF will be mostly canceled for
every tau-t (ps). If you set tau-t to be larger than default
Dear David and Harutyun,
Thanks for your reply. Density plots were the first check I did. They show
a very minor difference. I imagined that the electric field is not
sufficient, however, presence of high electric field ( > 1 V or 1000mV)*
disrupts the membrane and my simulation crashes*. Is
You can use compel and build a double bilayer system to separate ions. However,
if you separate positive and negative ions, you will have very high membrane
potential, event two ions difference can raise potential about 200 mV. In your
case, I suppose 500 mV is not enough to separate all ions
Den 2020-02-12 kl. 23:07, skrev Live King:
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
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
