[gmx-users] Re : Positive and negative ions move in the same direction under a constant electric field?

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Dear Mark and Tom¡G

    Thanks for your answer. In order to modify the term of temperature coupling group, I chose ¡§system¡¨ in place of ¡§SOL¡¨ when using the genion function. So the temperature coupling in .mdp file became¡G

tc_grps    =    System

tau_t      =    0.1

ref_t      =    300

I changed the [moleculetype] with the SOL number and add NA+ and CL- in .top file as I did before. Other procedure and setting in the simulation are the same as I used before.

    There is not protein in my simulation system. I can¡¦t use ¡§protein¡¨ and ¡§non-protein¡¨ in tc_grps setting. 

    After 600 ps, the Na+ and Cl- do not move in the same direction obviously. In fact, they move slowly and slightly. But I can¡¦t observe that the two different ions move in the opposite direction. Is anything inappropriate in my temperature coupling setting?

    

Can anyone give me some clue on this? I¡¦ll appreciate for any hints on this question.
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