[gmx-users] Probably a bug in nstenergy?

Mark Abraham Mark.Abraham at anu.edu.au
Mon Apr 20 10:55:15 CEST 2009

Lee Soin wrote:
> I'm using version 4.0.4. Here's my .mdp file:

OK, so make two directories for versions of the .mdp file with different 
nstenergy, run grompp on each to create two .tpr files, and run both of 
those. You should see corresponding different rates of energy file output.

As DvdS suggested, you may have omitted to re-run grompp, or used the 
wrong .mdp file or wrong .tpr file or looked at the wrong results.


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