[gmx-users] (no subject)

[Bratin Kumar Das]

In your .mdp file ...in cut-off you mention PME...

On Sun, Sep 23, 2018, 9:42 PM AKANXA TIWARI <akanxatiwari24 at gmail.com>
wrote:

> Hi
> During simulation of protein after giving grompp ions command i got a note
> what should i do.
>  NOTE 3 [file ions2.mdp]:
>   You are using a plain Coulomb cut-off, which might produce artifacts.
>   You might want to consider using PME electrostatics.
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