[gmx-users] difficulty when I run mdrun

Magnus Andersson magnus.andersson at chembio.chalmers.se
Mon Aug 29 10:45:13 CEST 2005

Hi Rahul,

This happened to me once and after looking at the log file it was full of
error messages taking up space, ie not a good mdrun. So I checked the
error messages, corrected them and it was fine after that.

/Magnus Andersson

> Dear all,
>    When I run mdrun on a box containing a chain, surrouned by
> water molecules, I am facing one critical problem. When I start the
> simulation, the md.log file will get created. But after some time
> (20-30 minutes) the md.log file acquires all the space remained on the
> disk. It shows me md.log file size of 14.4 GB and still the simulation
> is not complete. What may be the problem? I am stuck. PLease help me
> out.
> Thanking you in advance.
> Rahul Karyappa
> NCL, India
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