[gmx-users] more detailed problem from 3.2.1 to 3.3 version

[Adriana Pietropaolo]

On Wed, 8 Mar 2006, David van der Spoel wrote:

> Adriana Pietropaolo wrote:
> >>did you use pme_order=8? Before 3.3.1, you shall use 4.
> >>
> >>Yang Ye
> > 
> > 
> > yes I used 8, as in the 3.2.1, so I have to use 4?
> > ok, thank you very much!
> > I'll try...
> > 
> this is a known bug. a fix is available on the ftp site.
> 
> 
Hi all,
with the pme order 4 is now ok,
but why this? 
8 is better than 4,or not? 
this order is related to spline 
interpolation, is right?
thanks, anyway!
Adriana
-- 
_____________________________________________
Adriana Pietropaolo,
PhD student,
dipartimento di Chimica Fisica ed Inorganica,
Facolta' di Chimica Industriale
Universita' di Bologna
WEB:www2.fci.unibo.it/~adriana
Tel 051/6446992
FAX 051/2093690 
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