Re: [AMBER] cluster

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 21 May 2013 08:28:47 -0600

Hi,

What version of ptraj are you using?

On Tue, May 21, 2013 at 4:48 AM, Mannan <malie_03.yahoo.co.in> wrote:
> WARNING in dispatchToken: Token string "cluster" not found in tokenlist
> WARNING in dispatchToken: Token string "out" not found in tokenlist
> WARNING in dispatchToken: Token string "clusters/c20ns" not found in tokenlist
> WARNING in dispatchToken: Token string "all" not found in tokenlist
> WARNING in dispatchToken: Token string "amber" not found in tokenlist
> WARNING in dispatchToken: Token string "representative" not found in tokenlist
> WARNING in dispatchToken: Token string "pdb" not found in tokenlist

This indicates that the version of ptraj you are using does not have
the 'cluster' command implemented, so it must be very old. I recommend
you upgrade to AmberTools13 (which is free). If you are only
interested in hierarchical clustering with average-linkage you also
may want to try clustering with cpptraj instead.

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Tue May 21 2013 - 07:30:03 PDT
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