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

Mark Abraham Mark.Abraham at anu.edu.au
Mon May 7 10:07:15 CEST 2007

林揚善 wrote:
> tc_grps           =    SOL     NA+    CL-
> tau_t               =    0.1      0.1      0.1
> ref_t               =    300      300     300

I don't know if it's germane to your problem, but this is about the
tenth time this month that someone has reported an .mdp file with groups
of ions coupled independently to thermal baths. This is a Bad Idea, and
means that even if everything else is working correctly, your simulation
isn't as close to accurate as you would want. Search the mailing list
for reasons why.


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