[gmx-users] gromacs 4.6.4 version - nvt equilibration error

Elton Carvalho eltonfc at if.usp.br
Tue Nov 19 16:11:30 CET 2013


Have you tried running it in another partition/mount point? Does your
user have write access to the directory where you are running the
simulation?

Does it happen with other versions of Gromacs?

On Tue, Nov 19, 2013 at 12:39 PM, vansh <vsharma at imtech.res.in> wrote:
> hi justin ,
> yes the error is reproducible.i have repeated simulations four times and its
> there
> no, it doesnt happen at the same simulation step
> yes simulations run for a while before showing this error (more than 50% )
> and no there is no other diagnostic output than the above mentioned.
>
> -----
> thanks in advance :)
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-- 
Elton Carvalho
Tel.: +55 11 3091-6985/6922
Dept Física dos Materiais e Mecânica
Instituto de Física
Universidade de São Paulo
P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil


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