[gmx-users] The sum of the two largest charge group radii

Mark Abraham mark.j.abraham at gmail.com
Fri Dec 8 12:04:52 CET 2017


Increasing it to 32.5nm, even if permitted by the size of the simulation
cell, is going to grind the simulation to a halt. First, think about why
the group is that size ;-)


On Fri, Dec 8, 2017, 7:42 PM Akbar Shaikh <Akbar.Shaikh at sparcmail.com>

> You can try increasing the rlist value. It generally doesn't degrade the
> quality of your simulation results.
> Sincerely,
> Akbar Shaikh
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