Re: AMBER: XLEAP

From: Martin Lepsik <lepsik.minea.uochb.cas.cz>
Date: Thu, 29 Jan 2004 15:43:18 +0000

........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
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>


-- 
-----------
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.uochb.cas.cz
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Jan 30 2004 - 18:56:04 PST
Custom Search