[gmx-users] more detailed problem from 3.2.1 to 3.3 version
adriana at ms.fci.unibo.it
Thu Mar 9 11:57:45 CET 2006
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.
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?
dipartimento di Chimica Fisica ed Inorganica,
Facolta' di Chimica Industriale
Universita' di Bologna
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