Hello,
I was planning on performing FEP using Thermodynamic integration in AMBER. I had set up my system using the CHARMM forcefield and used CHAMBER to convert to AMBER. However, when I run the MD script for TI, it gives me an error saying " ERROR: TI is incompatible with CHARMM for now.". Is there a workaround for this? I am using AMBER 20, is there a newer version which solves this issue?
Thank you!
Natesan.
Natesan Mani
(pronouns: he/him)
PhD student,
Department of Chemical Engineering,
Northeastern University.
Phone: +17134017811
Email : mani.na.northeastern.edu
LinkedIn<
http://www.linkedin.com/in/natesan-mani> | Website<
https://sites.google.com/view/simbiosyslab>
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Received on Wed Oct 18 2023 - 10:30:03 PDT
