[AMBER] Thermodynamic Integration simulation in pmemd.cuda

From: Suguna Sakkiah via AMBER <amber.ambermd.org>
Date: Mon, 22 Aug 2022 23:33:23 +0000

Hi,

I am new to run free energy calculation in Amber. Anyone can suggest a good tutorial to calculate the free energy using Thermodynamic Integration simulation in pmemd.cuda or any good tutorial?

I highly appreciate your help.

Regards
Suguna
________________________________
C4 Therapeutics, Inc. Confidentiality Notice: This message is private and may contain confidential and proprietary information. If you have received this message in error, please notify us and remove it from your system and note that you must not copy, distribute or take any action in reliance on it. Any unauthorized use or disclosure of the contents of this message is not permitted and may be unlawful.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 22 2022 - 17:00:02 PDT
Custom Search