AMBER Archive (2003)

Subject: Re: AMBER: Re: initial structures

From: David A. Case (case_at_scripps.edu)
Date: Mon Dec 08 2003 - 11:30:57 CST

On Mon, Dec 08, 2003, Raghunadha Reddy Burri wrote:

> I want use this pdb file to GROMACS simulation. I am looking for structure
> look like SWISS-MODEL Protein Modelling (with one helices), I hope this is
> "native" structure.
>
> please give me some details to use "impose".

LEaP was never designed to be a program to be used for modelling a native-like
conformation of a protein given just its sequence. I would suggest that you
look to other programs to do this.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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