Re: [AMBER] set up for a binding event MD

From: Marcos Serrou do Amaral <marcossamaral.gmail.com>
Date: Tue, 22 Mar 2016 22:41:04 -0400

On Fri, Mar 18, 2016 at 2:02 PM, Arnoult, Eric [JRDUS] <EArnoult.its.jnj.com
> wrote:

> Have your tried using leap to place a ligand at different distances from
> its target? How to do it?


Dear Eric,

I don't know if it is possible to bind a ligand into a protein using leap.
But, recently, I needed to place a small peptide covalently bond to a large
molecule. For that, I could figure out using Chimera program. It was a
visual procedure and I only used one set of coordinates for "ligand".

HTH 
---
Marcos
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Received on Tue Mar 22 2016 - 20:00:05 PDT
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