Dear Amber users,
I am a novel user of Amber and I have done my
simulation on micelle strucure in explicit water.
Here I would like to get some advice and guidance from
all the professionals out there the procedure that I
must follow to get a reliable results of my analysis.
I would like to calculate properties like
RMSD value,
Radius of Gyration, and
H-bond for my micelle structure.
In order to calulate the above properties do I need to
reimage the micelle structure?
Is there any other pre-adjustments or pre-setup I need
to do with the output files such as xxxx.mdcrd,
xxxx.out, xxxx.rst before starting calculation?
I really appreciate your kind advice and guidance.
Thank you
Vijay.
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Received on Sat Jun 18 2005 - 09:53:01 PDT
