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
Gurpreet
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Received on Sun Mar 16 2008 - 06:07:20 PDT
