[gmx-users] confused about rcoulomb<=rlist

Berk Hess gmx3 at hotmail.com
Thu Jul 20 11:57:55 CEST 2006


>
>So I will implement this for Gromacs 4.0.
>
>The only, technical, detail is if one would want to determine
>beta with rcoulomb or with rcoulomb_switch,
>as the real space part will start deviating from rcoulomb_switch.
>But I would prefer rcoulomb for consistency reasons.

I have committed the new PME-Switch electrostatics option.

Berk.





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