[gmx-users] Pressure scaling warning

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 31 12:35:21 CEST 2009



Thamu wrote:
> Hi,
> 
> when I run PR mdrun, i got the following warning message. the program 
> can not run further.
> 
> Step 481  Warning: Pressure scaling more than 1%.
> 

Please refer to the wiki entry on this topic:

http://oldwiki.gromacs.org/index.php/Errors#Pressure_scaling_more_than_1.25

Beyond that, you'll have to post a more complete description of your system, 
including the .mdp file you're using, to get any more useful advice.

-Justin

> I would greatly appreciate gromacs users suggestions.
> 
> Thanking you,
> 
> Yours sincerely,
> Thamotharan
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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