[gmx-users] restart failed

[Mark Abraham]

On Sat, Nov 16, 2013 at 10:46 AM, xiao <helitrope at 126.com> wrote:

> Hi all gromacs users,
>
> My simulation crashed, and i try to restart it by using the following
> command:  mdrun -s topol.tpr -cpi state.cpt
>

Not using -deffnm means mdrun expects to write traj.trr, traj.xtc,
ener.edr...


> The version of the software is 4.5.4, and i got the following error:
>
>
> File appending requested, but only 1 of the 4 output files are present
> Output files present: md.log
> output files nor present or named differentaly: md.trr md.xtc md.edr
>

... which is not what it wrote last time. Do the restart the same way as
the original run.

Mark


>
> I checked the md.trr md.xtc md.edr, and they are in the same directory. I
> have no idea why the software comlained it?
>
> Any idea is appreciated
>
> Best wishes
>
> Fugui
>
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