RE: AMBER: Leap set head/tail question

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 2 Aug 2005 11:28:03 -0700

Dear Kara,

> " followed by the atom. How do I specify the atom. When I
> type in P,
> it get a message "must be of type atom". The manual doesn't have an
> example and desc DG didn't seem to help.

Use the full atom name which is of the form:

unit.res.atom name

So for example for DG there is only one residue.

Desc DG.1

And in this the phosphorus atom is called P so you would use:

set DG head DG.1.P

All the best
Ross

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Received on Tue Aug 02 2005 - 19:53:01 PDT
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