[gmx-users] g_sas for martini coarse-grained particles

XAvier Periole x.periole at rug.nl
Sun Jul 18 11:56:58 CEST 2010

also an example of the use of SASA is in JACS-2007, 129, 10126-10132

On Jul 18, 2010, at 1:59 AM, Sanku M wrote:

> Hi,
>    I am trying to estimate the solvent accessible surface area of   
> hydrophobic tails of  a martini DPPC  lipid bilayer . I was going to  
> use g_sas for that. But, I observe that this tool gets the vanderwal  
> radii from vdwradii.dat file. But, since the particles in the  
> martini lipids are united-atom types, I was wondering what will be a  
> reasonable radius to use for hydrophobic tail particles of a martini  
> lipid ?
> Thanks
> Sanku
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