AMBER Archive (2004)

Subject: Re: AMBER: Distance Restraints

From: David A. Case (
Date: Mon Oct 11 2004 - 10:17:39 CDT

On Mon, Oct 11, 2004, Nelson Fonseca wrote:
> Experience is what you get when you don't get what you want.
> I would like to know in molecular dynamics simulations
> with restraints on
> distances is it possible use negative values for
> distances given in rst file,

> r1= -1.0, r2= 0.0, r3= 0.0, r4= 1.0,

Assuming that you have some good reason for wanting to do this (distances
are intrinsically positive), you should take your "experience" quote
seriously, and give it a try.....

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