[gmx-users] pressure scaling more than 1%

[David van der Spoel]

james zhang wrote:
> Hi,
>  
> I try to compress a box at a high pressure, but the box alwasys 
> collapsed after several steps.
>  
> And I get the error:  /pressure scaling more than 1%/
>  
> How can I get over this problem.
>  



increase tau_p

> Thanks in advance.
> 
> 
> -- 
> Sincerely yours,
> James jianzhang
> Department of Mechanical and Chemical Engineering
> North Carolina Agricultural and Technical State University
> 1601 East Market Street
> Greensboro, NC 27411
>  
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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