[gmx-users] Neutralize or add an Ions Concentration for a Membrane Simulation?

Andres Ortega og_andres15 at hotmail.com
Sat Mar 8 05:15:14 CET 2014

Hi Dear Gromacs Users, i would like to ask you something, 

My system consist of an ion channel , and a drug molecule, i´m preparing a
umbrella simulation, 
to study the PME between the protein and the molecule, so , i´ve been
reading papers, and some of them 
just add ions to neutralize the system, but other just use a concentration
of KCL , 

What do you think is the best option for me(considering my system), and how
is the effect to add a concentration of ions, is it cause more computation ?

thanks in advance


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