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
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