[gmx-users] segmentation fault after mdrun

[Carsten Kutzner]

On Feb 23, 2009, at 9:22 AM, Nikit sharan wrote:

> Dear justin,
>
> As you suggested i have changed the coloumb type to PME and set
> pme_order to 5 as  said in the mailing list as it will increase the
Hi Nikit,

I think pme_order should be an even number in gromacs. You might
want to try with order = 6 then.

Carsten



--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne