Cheong Wee Loong, Daniel wrote:
Dear all,
I am interested to calculate the hydrophobic and hydrophilic area of the
surface of the protein layer I am simulating. It looked like g_sas
would be able to give me what I was looking for. But I was wondering
what the difference is between the calculation group and the output
group. In particular, what is the output group? I tried looking in the
manual and in the archives but I can’t seem to find an answer to it.
From g_sas -h:
"The calculation group should always consists of all the non-solvent atoms in
the system. The output group can be the whole or part of the calculation group."
-Justin
Thanks.
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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