AMBER Archive (2005)

Subject: RE: AMBER: Leap set head/tail question

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Aug 02 2005 - 13:28:03 CDT

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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|\oss Walker

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