[gmx-users] segmentation fault
David van der Spoel
spoel at xray.bmc.uu.se
Tue Feb 3 11:21:10 CET 2009
Sunil Thapa wrote:
> Respectable Mark/David/Berk
>
> I want to study diffusion of oxygen in water at constant pressure of 1
> bar. I thus coupled my system with *berendsen* with the reference
> pressureof 1 bar. But my production run gave a segmentation fault.
>
> But when I don't couple, it doesn't. What should I do?
use longer tau_P
>
> Your help will be very helpful.
>
> Sunil
>
>
>
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--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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