[AMBER] attach pull release method exploration for free energy calculations

From: Debarati DasGupta <debarati_dasgupta.hotmail.com>
Date: Thu, 9 Jul 2020 19:40:32 +0000

Hi
Is there anyone in the mailing list who has applied the APR method to calculate binding affinities for protein ligand systems.
I had some doubts and it will be good if someone can chime in. My doubts are related to https://ambermd.org/tutorials/advanced/tutorial29/index.html
Thanks everyone
Regards

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Received on Thu Jul 09 2020 - 13:00:03 PDT