[gmx-users] (no subject)
Bratin Kumar Das
177cy500.bratin at nitk.edu.in
Sun Sep 23 18:30:00 CEST 2018
In your .mdp file ...in cut-off you mention PME...
On Sun, Sep 23, 2018, 9:42 PM AKANXA TIWARI <akanxatiwari24 at gmail.com>
> 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.
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users