AMBER Archive (2008)

Subject: Re: AMBER: distance restraint

From: David A. Case (case_at_scripps.edu)
Date: Thu Mar 13 2008 - 15:40:07 CDT

On Thu, Mar 13, 2008, gurpreet singh wrote:
>
> I am using version 9.0 of AMBER. I want to use distance restraints on some
> of the atoms of my interest.
> Below is the usual way of writing a distance restraint file.
>
> &rst iat = 416, 3170, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50 , rk2= 40.0 ,
> rk3= 40.0,
>
> My question is; can we replace this atom number (iat) with either atom type
> or atom name rather than writing the atom numbers using 'iat' tag?

Sure: see the iresid variable....dac

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