AMBER Archive (2008)

Subject: AMBER: distance restraint

From: gurpreet singh (
Date: Thu Mar 13 2008 - 06:28:28 CDT

Respected Users

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?

Thanks and Regards

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