[gmx-users] trouble using tables with 5.1

[Mark Abraham]

Hi,

Thanks, I found this also, and it has already been fixed for the upcoming
5.1.3.

Mark

On Mon, Jul 18, 2016 at 1:50 PM XAvier Periole <X.Periole at rug.nl> wrote:

>
> Dears,
> Note: At the end of the message I provide a solution found while writing
> the email ...
>
> I am having troubles feeding mdrun my tabulated bonded terms through
> tables. The manual does not indicate any change in that respect …
>
> I used to run this with gmx-463 with the command looking like:
> mdrun <options> -tableb /path/table
>
> my tabulated potentials being named:
> table_a0.xvg table_a1.xvg
> table_d0.xvg … table_d13.xvg
>
> With the same syntax (-tableb table) using gmx5.1 I get the following
> error message:
> -----
> Error in user input:
> Invalid common-line options
>   In command-line option -tableb
>     File ‘table’ does not exist or is not accessible.
>     The following extensions were tried to complete the file name
>
> if I add .xvg to the name table (-tableb table.xvg) I get the error:
> ----
> Error in user input:
> Invalid common-line options
>   In command-line option -tableb
>     File ‘table’ does not exist or is not accessible.
>
> if I give the fill name of one table (-table table_a0.xvg) I get the error:
> ——
> System I/O error:
> Library file ‘table_a0_a0.xvg’ not found in the current directory no in
> the default directories.
> The following path …
>
> Solution: then is I give the name table.xvg (-tableb table.xvg) and create
> an empty file then it all goes smooth and the files are red and mdrun …
>
> Beautiful, but might be some funky stuff happening that could be fixed.
>
> Tks,
> XAvier.
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