AMBER Archive (2004)

Subject: Re: AMBER: XLEAP

From: Martin Lepsik (lepsik_at_minea.uochb.cas.cz)
Date: Thu Jan 29 2004 - 09:43:18 CST


.......you have to specify the atom in the form:
unit-name.residue-number.atom-name

Hope this helps,

  Martin Lepsik

> Does anybody know how to set the head and tail atom for the unit in xleap?
> I used 'set UA tail SO' but the xleap kept complain with the message 'The value
> must be of the type: Atom'. What does this mean? How can I change my command? I
> think it must have something to do with the last 'SO'. But I do not know how to
> change it. Thanks in advance.
>
> Lan
>
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-- 
-----------
Martin Lepsik
Dept. of Molecular Modeling
Institute of Organic Chemistry & Biochemistry
Czech Academy of Sciences
phone: +420-220 183 540
fax:+420-220 183 292
e-mail:lepsik_at_uochb.cas.cz

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