priya thiyagarajan wrote:
hello sir ,
i got few basic doubts in dynamics..
while performing analysis, we are calculating rmsd and gyrate for
single molecule..
but in case of more molecules i.e by adding 20 molecules randomly using
genbox , when we perform analysis, rmsd value we are obtaining is the
average change in structure deviation from initial structure.
what about gyrate??
i am getting one plot... how to interpret the result for 20
moecules..since 20 molecules arranged randomly, how it calculates the
gyrate value..
please help me with your answer..
I think g_polystat is more appropriate in this case.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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