AMBER Archive (2002)

Subject: Re: How to define a sphere to minimize?

From: Bill Ross (photoriot_at_yahoo.com)
Date: Mon Oct 21 2002 - 10:11:19 CDT

> GROUP g1 (RES NAME PYR) ;
> CUTRES c1 g1 34.0 ;

> This "analin" file gives me an "analout" file with
> all the residues within 34 Angstroms from a residue
> called "PYR".

Note that it gives all residues within 34 A of _all_
residues named PYR, so if there are > 1 and only 1
is desired, it must be specified by number.

Bill Ross