Re: AMBER: Distance restraint to centre of mass

From: David A. Case <>
Date: Sat, 31 Mar 2007 21:13:48 -0700

On Fri, Mar 30, 2007, Evan Kelly wrote:
> I was hoping to use a distance restraint in an MD simulation where
> certain small groups of atoms are restrained away from the centre of
> a protein (ie. I want them to experience a radially outward force).

You probably should consider a "targetted" restraint, that allows you to
define a restraint that moves the particle away from some position, but
doesn't depend on direction.

....good luck...dac

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Apr 01 2007 - 06:08:06 PDT
Custom Search