[gmx-users] Info on g_sas DGsolv

[David van der Spoel]

Afonso Duarte wrote:
> Dear All
> 
> I have one question regarding the output of g_sas.
> 
> In the area.xvg file that includes the hydrophobic,hydrophilic and total 
> solvent accessible surface, also includeas a DGsolv output. I tried to 
> find what is kind of energy (is it the total solvatation energy?) and 
> what are the units (I am assuming kJ/mol) but I did not found it.
> 
> Could somebody ellucidate me?
> 
> Thanks!
> 
> Cheers
> 
> Afonso
> 
DGsolv in kJ/mol, according to Eisenberg (the ref is printed)

-- 
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://folding.bmc.uu.se
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