[gmx-users] position restraints

[David]

On Tue, 2003-06-03 at 13:23, s8026264 wrote:
> Dear All
> 
> 
> I use position restraints method to restrain a protein  for equilibration water 
> 
> molecules in a box. but I have a question about this method : when I use this 
> 
> method ,do fix positions of protein atoms respect each others ? 
no you don't, you *restrain* them to their starting positions. They can
fluctuate around the starting positions.
> 
> 
> cheers
> 
> Mojtaba Alaei
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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://xray.bmc.uu.se/~spoel
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