[AMBER] Adding organic molecules to the water box

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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
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Received on Wed Mar 01 2023 - 05:00:02 PST