[gmx-users] Can we run a NPT simulation with fixed lengths inx and y direction?

[Sivashangari Gnanasambandam]

 Hi, everyone
 I am running anisotropic pressure coupling as shown below

;Pressure coupling
Pcoupl  		 = berendsen
Pcoupltype              =  anisotropic
tau_p		 = 5.0
compressibility 	 = 0 0 1e-5
ref_p		 = 1.0

It shows error that it need 6 values. Kindly suggest me how to give the
input parameter for anisotropic pressure coupling. 

Thank you,
Sankari

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of David van der Spoel
Sent: Monday, December 18, 2006 3:50 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Can we run a NPT simulation with fixed lengths
inx and y direction?

Hu Zhongqiao wrote:
> Hi, everyone
>  
> Can we run a NPT simulation with fixed lengths in x and y direction 
> but with variable length in z?
>  
> Zhongqiao Hu
>  
> Lab E5-04-27
> Tel: 65161946(O)
> Department of Chemical and Biomolecular Engineering National 
> University of Singapore 117576, Singapore
>  
>  
> 
> 
> ----------------------------------------------------------------------
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yes. use compressibility = 0 0 1e-5


--
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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