Hi Danial,
Thank you very much for your kind reply. I have sent you the files you asked for.
I look forward to hearing from you.
best wishes,
necmettin
---------------------------------------
Necmettin Pirinccioglu
Department of Chemistry
University of Dicle
e-mail. pirincn at dicle dot edu dot tr
phone. +90 (0412) 2488550 (ext. 3055)
----------------------------------------------
> -----Original Message-----
> From: Daniel Roe <daniel.r.roe.gmail.com>
> To: AMBER Mailing List <amber.ambermd.org>
> Date: 23-07-2010 17:36
> Subject: Re: [AMBER] ptraj-clustering
>
> On Fri, Jul 23, 2010 at 3:28 AM, Necmettin Pirinccioglu
> <pirincn.dicle.edu.tr> wrote:
> >
> > cluster out clusters crown all amber representative pdb average pdb averagelinkage
sieve
> > 10 clusters 10 rms :1-1
>
> Are you sure this is the command you are using? As it is written it
> would generate a syntax error in ptraj since 'crown' is not a keyword
> the cluster action recognizes.
>
> I tested the cluster command in ptraj (without 'crown', but otherwise
> the same as written above) on 100 frames of a 268 residue system and
> it was able to complete without segfaulting (AT1.4 running on linux
> x86_64, gnu 4.4.3 compilers).
>
> In order to troubleshoot this, can you let me know the compiler
> type/version used to compile, the version of AmberTools you have, the
> architecture and OS/version you are running on, and can you send your
> full ptraj output as an attached text file? Thanks.
>
> -Dan
>
> > ---------------------------------------
> > Necmettin Pirinccioglu
> > Department of Chemistry
> > University of Dicle
> > e-mail. pirincn at dicle dot edu dot tr
> > phone. +90 (0412) 2488550 (ext. 3055)
> > ----------------------------------------------
> >
> >
> >
> >
> >
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> > AMBER.ambermd.org
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> >
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Received on Mon Jul 26 2010 - 00:00:04 PDT
