[AMBER] Question about Parameters for Cannabidiol

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Robert Palmere via AMBER <amber.ambermd.org>
Date: Wed, 18 Oct 2023 20:57:12 +0000

Hello,

I am interested in simulating Cannabidiol (CBD) using the AMBER software suite.

However, there seems to be missing parameters within the .frcmod file after running “parmchk2”.

Are there parameters within $AMBERHOME/dat/leap/parm/ that would be sufficient for these missing parameters?

If not, what would be the best course of action to get these parameters?

I have attached the .mol2 and .frcmod files to this email.

Thank you in advance for your time and consideration.

Sincerely,

Robert

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

application/octet-stream attachment: cbd.mol2

application/octet-stream attachment: cbd.frcmod

Received on Wed Oct 18 2023 - 14:00:04 PDT