AMBER: distance restraint

From: gurpreet singh <>
Date: Thu, 13 Mar 2008 16:58:28 +0530

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

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Mar 16 2008 - 06:07:20 PDT
Custom Search