[AMBER] SMD using contact number

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

From: Chem Jubilant <jubilant.chem.gmail.com>
Date: Wed, 1 May 2019 09:40:46 -0500

Amber users,

Can I use number of contacts between protein and ligand as driving factor
in steered MD?
I want to pull the ligand from protein using contact numbers.
Anyone done that? Any tutorials or manual explaining that?

Thanks,
Jubilant
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 01 2019 - 08:00:02 PDT