Hi Arthur,
I think it's stated in the header of the .xvg file. Otherwise, it is
in the archives, where I just had a glance to revive my memory a bit.
It's something like:
time hydrophobic-SAS hydrophilic-SAS total-SAS hydration-free-enthalpy
Cheers,
Tsjerk
On 5/4/07, Arthur Roberts <[EMAIL PROTECTED]> wrote:
This is a question about what the lines from the solvent
accessibility mean.
I executed the following command.
g_sas -s mdrun.tpr -f mdrun.trr -or mdrun.xvg
xmgrace -nxy mdrun.xvg
I get two sets of values: one is bigger (black) than the other (red).
Is the red lower value, the standard error or standard deviation or
something else?
I checked the manual and other sources, but I could not find an
answer. If it was written in fine print and I missed it, I am sorry
about that.
Thank you in advance,
Art Roberts
University of Washington
Department of Medicinal Chemistry
Seattle, WA 98195
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
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