[gmx-users] Help ! Some molecules go away from my bilayer.....

[David]

On Thu, 2004-07-08 at 18:36, sgaray at fbcb.unl.edu.ar wrote:
> 6)MD without restriction (300K, 4ns, pressure 
> coupling: Berendsen, tao_p: 4ps, surface-
> tension: cte). Again, one or two stearic acid go 
> away from the bilayer.
> 7)MD without restriction (300K, 4ns, V cte.).  
> Again, one or two stearic acid go away from the 
> bilayer.
> 
> Is it OK? The stearic's heads are very small, so Is it logical that 
> some of them are taken off the membrane due to the water 
> interactions?  Any suggestion? 

What is the solubility of these beasts? Do they have long aliphatic
tails?
>  
> 
> Sergio Garay
> Biochemist
> Faculty of Biochemistry and Biological Science
> Universidad Nacional del Litoral
> Santa Fe (3000). Argentina
> 
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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://xray.bmc.uu.se/~spoel
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