[gmx-users] Info on g_sas DGsolv
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jan 24 15:48:27 CET 2007
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?
DGsolv in kJ/mol, according to Eisenberg (the ref is printed)
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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