[gmx-users] pressure scaling and hard drive space

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 28 00:22:09 CET 2006


Brian Stephenson wrote:
> I have played around with tau_p, even increasing it to very high values 
> such as 100
> and still get the pressure scaling problems.  I've also energy minimized 
> many times,
> to no avail.  For this particular system I've been thinking there isn't 
> anything very
> unphysical going on ... 

Have you checked the trajectories visually? It's an obvious one that 
I've known people to forget to do :-)

Mark



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