[AMBER] Adding organic molecules to the water box

From: Dhanush Ramesh Anitha via AMBER <amber.ambermd.org>
Date: Wed, 1 Mar 2023 12:44:36 +0000

Good morning everyone,

     I want to add organic molecules (for example, benzene) in a random order to the water box (containing the protein) in order to perform CMD. Can anyone suggest how to do that (tleap code for it) as I am unable to find the essential info on it. Looking forward to hear from you soon.

Best,
Dhanush R A,
Master Student - UiB
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 01 2023 - 05:00:02 PST
Custom Search