AMBER Archive (2004)

Subject: Re: AMBER: XLEAP

From: A.B.S.M Osman gani (osman_gani1974_at_yahoo.com)
Date: Thu Jan 29 2004 - 09:19:04 CST

Hi Lan,
You can try the following commands-
 
set UNIT head UNIT.1.C1
set UNIT tail UNIT.1.C2
 
Assuming your unit is ''UNIT'' which has only one residue(1 shows residue number), C1 is the head atom and C2 is the tail atom.
 
-osman

L Jin <s0344557_at_sms.ed.ac.uk> wrote:
Dear all,

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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