[AMBER] Enthalpy calculation of protein.

From: Abhilash J <md.scfbio.gmail.com>
Date: Sun, 28 Dec 2014 13:12:46 +0530

Hi!

  I have a MD trajectory wit water, protein and one other compound. I am
interested in the enthalpy of the protein only over each frame the
trajectory.
  I believe there must be some command in cpptraj or other AMBER modules
which can be of help to me. I tried finding it but am still unable to
locate it.
   I also tried old archives of amber mailing list but the answer still
eludes me.
  Please help.


Abhilash
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Received on Sun Dec 28 2014 - 00:00:02 PST
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