AMBER Archive (2007)

Subject: Re: AMBER: calculating distance between two atoms

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Fri Feb 02 2007 - 15:42:41 CST

use ptraj and just select the atoms that you want.
if more than 1 atom, it uses CM of the group. if 1, CM
of the one atom (it's position).
have you tried this? should work fine, if not post
the reason for your doubt.

bertrand russell wrote:
> Dear Amber users,
>
> I have one doubt that is it possible to
> calculate the distance between two atoms(not the centre of mass). If I
> can could any one help me how to do that? Many thanks in advance.
>
> --
> Live Life; Don't pass it
> Bertrand.P.S.Russell
> +91-9894398441

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