Re: [AMBER] kindly guide me.

From: David A Case <>
Date: Tue, 11 Feb 2020 07:49:07 -0500

On Tue, Feb 11, 2020, ALAMGIR KHAN wrote:

>I am working on a covalent inhibitors in tyrosine kinases, for this I have to do the MD simulation by amber software, the pdb i used has iD  4HCU, in the pdb there is lagand name 13l covalent bonded to cystine 442. I want to parametrize this covalent bond but i am getting no success and for this i follow the tutorial

I'm not familiar with that tutorial. You could try this one, from the
Ambrer web site:

(Note that in your case you won't need to generate both conformers).
Or, try this one:

...good luck....dac

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Received on Tue Feb 11 2020 - 05:00:02 PST
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