[gmx-users] PM3-AD ERROR GROMACS 5.1.1

Mark Abraham mark.j.abraham at gmail.com
Mon Feb 15 14:16:05 CET 2016


Hi,

Yes, fixed in 5.1.2. See
http://manual.gromacs.org/documentation/5.1.2/ReleaseNotes/release-notes.html#removed-mdrun-fatal-error-with-p3m-ad

Mark

On Mon, Feb 15, 2016 at 1:46 PM Tuanan Lourenço <lourenco.tuanan at gmail.com>
wrote:

> Hi to all,
>
> I am trying to perform a simulation utilizing the PM3-AD method but I
> received this message of error:
>
> Fatal error: Unsupported electrostatic interaction: P3M-AD
>
> Can Anybody confirm to me, if this message is due to a bug in the GROMACS
> 5.1.1?
> __________________________________________________
> MSc. Tuanan C Lourenço
> Ph.D Student Physical Chemistry - Universidade Federal Fluminense
> Molecular Modelling and Computer Simullation Group - UFF
> MOLMOD-CS WEBSITE <http://molmod-cs.weebly.com/>
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