AMBER Archive (2007)

Subject: Re: AMBER: calculating distance between two atoms

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Mon Feb 05 2007 - 06:55:19 CST

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_at_O1P :163_at_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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