[gmx-users] Calculation stopping
spoel at xray.bmc.uu.se
Mon Aug 4 17:26:02 CEST 2003
On Mon, 2003-08-04 at 17:20, Tanos wrote:
> Hi folks,
> Lately I have faced a very strange problem when using
> GROMACS: My MD calculations stop without any apparent reason. I am
> trying 100 ps of MD in a system of 130.000 atoms, but when calculation
> reaches about step 25000, it suddenly stops without any error message.
> The files .job and .log remain unchanged as the calculation was yet
> on. Does someone has any idea of what can be happening ????????
> Thanks in advance.
> Tanos C. C. Franca
> IME – Rio de Janeiro - Brazil
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