[gmx-users] pressure scaling and hard drive space

paloureiro at biof.ufrj.br paloureiro at biof.ufrj.br
Sat Feb 25 12:34:05 CET 2006

Hi Brian,

if you are using Berendsen pressure coupling (and your system is in the
equilibration phase) try increasing tau-p.



> Anyone know how to turn off those pesky "pressure scaling is greater 
> than 1%" error messages?  Instead of crashing, my simulations keep 
> running with errors and I keep running out of hard drive space when 
> the simulation keeps sending out the warnings over and over again.   
> I'm using mdrun with the -v flag, and maybe not using the -v would 
> get rid of them (?) but I need to know how much time is left for my 
> jobs.
> Thanks,
> Brian

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