AMBER Archive (2008)

Subject: RE: AMBER: Who success in setting up a covalent bond between ligand and enzyme with tLeap ?

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri Nov 28 2008 - 20:11:49 CST

Hi Jitrayut,

 

Please see the following tutorial which illustrates how to do this.

 

http://ambermd.org/tutorials/advanced/tutorial1/

 

You might also want to look at this tutorial as well:

 

http://ambermd.org/tutorials/advanced/tutorial1_adv/

 

All the best

Ross

 

From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
jitrayut jitonnom
Sent: Thursday, November 27, 2008 5:27 PM
To: amber_at_scripps.edu
Subject: AMBER: Who success in setting up a covalent bond between ligand and
enzyme with tLeap ?

 

Dear amber users,

 

Is there anyone success in setting up a covalently bond between ligand and
enzyme with tleap or xleap ?

For example, If I want to make a acetylated serine how can I set up this
system.

 

I have already cheked on other post with similar topic in
http://archive.ambermd.org/200408/0056.html but

I could'n understand how to do so any good explanation from you it would be
great.

 

Thanks

 

Jitrayut Jitonnom

School of Chemistry,

University of Bristol, UK

 

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