[gmx-users] A few general questions on Gromacs

[Martin Höfling]

Am Dienstag, 26. Juni 2007 schrieb Corina Stratan:

> I would like to thank you and David for the answers. By "multiple
> programs", I meant batch scripts that contain other

Oh yes, we have runtime limitation of 144h on serial and 24 or 48h on the 
large machines. I had to setup  several runs over 2 month or so.

So the submitted script was basically calling a python script, calling the 
necessary tools to check output, and run the next step. This can be 
cumbersome, if it comes to errorhandling (hardware failures etc.)

Best
	Martin