[gmx-users] 1-4 Scaling Problem?

Marc F. Lensink lensink at bigre.ulb.ac.be
Tue May 27 10:21:43 CEST 2008


On Mon, May 26, 2008 at 11:28:43AM -0400, Chris Neale wrote:
> 
> Thank you for providing the information that experimental is 59.6A. What 

the experimental value has been adjusted to 60.6 ± 0.5 Å2 at 30 C.
(Biophys. J. 88 (2005) 2626-2637).

btw, i would be really interested to see what you would get for DMPC.
the only way i can get it to rise above 55 is to put charges on the
acyl chains (and go to an all-atom representation).

cheers,
marc


-- 
Marc F. Lensink
Centre for Structural Biology and Bioinformatics          CSBB
Université Libre de Bruxelles           marc.lensink at ulb.ac.be
Boulevard du Triomphe - CP 263, B-1050 Brussels, Belgium
tel: +32 2 650 5411  secr: +32 2 650 2013  fax: +32 2 650 5425



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