[gmx-users] electric field

Rainer Boeckmann rboeckm at gwdg.de
Wed Jul 10 14:21:19 CEST 2002


hi Marco,

did you specify the field like described in the manual, that is


E-x = 1  1.0  0.0


with the first number being the number of cosines (1), the second the strength
of the electric field (here 1.0), and the third the phase...

cheers,
rainer


> Hi,
>
> I have a problem using an electric field:
>
> If I write E_x = 1
>
> in the electric field parameters and then i run grompp, i obtain

>
> Fatal error: Invalid input for electric field shift: '1'
>
> Why?
>
> Thanks
>
> Marco
>
> --
> --------------------------------------------------------------------
> Marco D'Abramo
>
> Theoretical and Computational Physical Chemistry Group
> Department of Chemistry
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>
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>
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>
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--
Rainer Böckmann
Theoretical Molecular Biophysics Group
Max-Planck-Institute for Biophysical Chemistry
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email: rboeckm at gwdg.de






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