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

David van der Spoel spoel at xray.bmc.uu.se
Wed Mar 8 19:16:31 CET 2006


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.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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