[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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