Hi,
I am looking to perform absolute binding free energy calculations in AMBER for trans-membrane proteins. I typically use CHARMM-GUI to build the membrane environment for my simulations.
Could you please advise if there are any specific considerations or modifications needed in the membrane building methods for accurate binding free energy calculations? Additionally, is there a recommended approach to executing these calculations effectively in AMBER when working with trans-membrane proteins?
Thank you for your assistance!
Regards,
Amara
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 13 2024 - 01:30:02 PDT
