Re: AMBER: calculating distance between two atoms

From: Carlos Simmerling <>
Date: Mon, 05 Feb 2007 07:55:19 -0500

check the amber manual- you're missing the name before the
atom masks so it is using the first mask as the name and "out"
as the second mask.

bertrand russell wrote:

> Dear Carlos,
> I tried calculating the distance between two atoms as you said but I
> am getting the following error. The input command what I have given is
> > distance :193.O1P :163.OD1 out distance.dat noimage
> I am getting the following,
> WARNING in ptraj(), distance: Error in specification of the second mask
> Ignoring command
> I couldn't undestand what is going on.Could you tell me what is wrong
> with my command?

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Received on Wed Feb 07 2007 - 06:07:18 PST
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