[AMBER] Extracting Information for each Frames Considered for Entropy Calculation by Normal Modes

From: <anilkumarsahoo.physics.iisc.ernet.in>
Date: Mon, 21 Sep 2015 03:39:22 +0530

Dear AMBER users,

I have calculated the entropy contribution to the binding of a
receptor-ligand system for 10 frames, using the mmpbsa.py.MPI code of
AMBER 14 tools. I used the normal mode method for calculating the
vibrational entropy part. The final results print the average and errors
over 10 frames.
                          I am interested to know how to get the
information for each frames from the
complex.out, receptor.out and ligand.out file
created. Or, is there any other method to get
the information for each frames?

Thanks and regards,
Anil Kumar Sahoo 


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Received on Sun Sep 20 2015 - 16:00:03 PDT
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