[gmx-developers] double file arguments in mdrun

[Berk Hess]

Hi,

I reported this before to Rossen and Szilard.
Not only are there doubles, but also the order has been changed from before.
All options should be exactly in the old order, since there was a logic
to that.

Berk

David van der Spoel wrote:
> From mdrun -h
>
> -rerun    rerun.xtc  Input, Opt.  Trajectory: xtc trr trj gro g96 pdb cpt
> -table    table.xvg  Input, Opt.  xvgr/xmgr file
> -tablep  tablep.xvg  Input, Opt.  xvgr/xmgr file
> -tableb   table.xvg  Input, Opt.  xvgr/xmgr file
> -dhdl      dhdl.xvg  Output, Opt. xvgr/xmgr file
> -field    field.xvg  Output, Opt. xvgr/xmgr file
> -table    table.xvg  Input, Opt.  xvgr/xmgr file
> -tablep  tablep.xvg  Input, Opt.  xvgr/xmgr file
> -tableb   table.xvg  Input, Opt.  xvgr/xmgr file
> -rerun    rerun.xtc  Input, Opt.  Trajectory: xtc trr trj gro g96 pdb cpt
>
> I guess the doubles can go?