[gmx-users] scaling pressure

[David]

On Tue, 2002-08-20 at 11:49, mojtaba alaei wrote:
> Dear All
> 
> Erick wrote at Sun, 18 Aug 2002 10:36:13 with subject"Re: [gmx-users] 
> Amorphous polymer and periodic box":
> 
> >The normal way to simulate polymers is to have a long molecule and >let it 
> >interact with itself if it's longer than the box. You'll probably have to 
> >start with an extended >molecule in a very long box at higher temperature, 
> >and then gradually use pressure scaling to shrink >the box (and let the 
> >molecule cross the box boundary).
> 
> how can I scale pressure?
chapter three in the manual...
also check the mdp options on the web site
> 
> Sincerely Yours
> 
> Mojtaba
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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