[AMBER] Beggining with AMBER

From: Fernando Blanco <amberfbv.gmail.com>
Date: Tue, 12 Apr 2011 18:00:21 +0100

Dear Amber Users

I am going to start a new Project studying Protein-Coactivator Interactions.

I would like to carry out MD and FEP calculations with AMBER
but i have not experience

I am working with the tutorials, but anyway I have several doubts

My first goal is set up a good protocol to fit the protein:

1. Adjust hydrogens and protonation state
2. Correct the lost aminoacides
3. ...

i.e. make all the preparation steps to have a good model for the following
studies

Could anybody give me any orientation/recommendations?

Thank you so much

Fernando Blanco
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Received on Tue Apr 12 2011 - 10:30:03 PDT
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