[gmx-users] why the trajectory file is not output

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jan 23 21:53:29 CET 2009

He, Yang wrote:
> I just tried it several times and still can not get the trajectory file. I am using the 3.3.1 not new version but I can get the xtc or trr file when running the other cases .

It seems unlikely you were able to run a million-step integration 
several times to completion. Choose a small number of steps, allow mdrun 
to run to completion, and *then* see if your problem is real.


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