Re: AMBER: Distance Restraints

From: David A. Case <case.scripps.edu>
Date: Mon, 11 Oct 2004 08:17:39 -0700

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.....

.....dac
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Received on Mon Oct 11 2004 - 16:53:00 PDT
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