[gmx-users] units in g_sas

[Madhuri Agashe]

A doubt: if D GSolv is the change in free energy, how do the units match up
for the plot then? Because for the rest ie, hydrophobic, hydrophilic and
total the unit is nm squared.

Madhuri Agashe

-----Original Message-----
From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org] On
Behalf Of Dallas Warren
Sent: Tuesday, March 02, 2004 5:49 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] units in g_sas


>The output got using the g_sas command, gives the following unit for Area.
>@    yaxis  label "Area (nm\S2\N)"
>Can anyone tell me what \S2\N stand for?

\S means superscript i.e. nm to the power of 2, or squared.

>Also am I right in assuming that D GSolv means the solvent accessible
>surface?

That is a free energy change I believe between free and solvated.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
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