Re: [ESPResSo-users] no charged particles in the system, cannot tune P3M

[Pedro Ojeda]

Hi,

attached to this email you will find the script (It worked fine with my 
previous version of espresso). It is the same script I'm using for the
two versions I mentioned before.

Regards, Pedro.



On Mon, 24 Jan 2011, Olaf Lenz wrote:

> On 01/24/2011 05:36 PM, Pedro Ojeda wrote:
> > after installing espresso (cloned from
> > https://github.com/olenz/espresso.git ) I tried to run one tcl script
> > (which is running fine in the espresso I previously installed from
> > the timecorr branch). For the new installation I received the
> > message: "no charged particles in the system, cannot tune P3M". where
> > could be the conflict?
>
> Somewhere in the script?
> It would be helpful if you would send the script, otherwise it is
> impossible to find this kind of problem.
>
> Otherwise: Are there any charged particles in the system, and are you
> using P3M?
>
>
> Olaf
>
> --
> Dr. rer. nat. Olaf Lenz
> Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
> Phone: +49-711-685-63607

virtual_sites.tcl
Description: virtual_sites.tcl