Re: AMBER: Re: initial structures

From: David A. Case <case.scripps.edu>
Date: Mon, 8 Dec 2003 09:30:57 -0800

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.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Wed Jan 14 2004 - 15:53:06 PST
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