[gmx-users] Calculation stopping
tccf at epq.ime.eb.br
Mon Aug 4 17:21:02 CEST 2003
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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