[gmx-users] regarding rmsd and gyrate
priya.thiyagarajan09 at gmail.com
Mon Apr 9 10:45:50 CEST 2012
hello sir ,
i got few basic doubts in dynamics..
while performing analysis, we are calculating rmsd and gyrate for single
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..
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