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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Received on Fri Jul 23 2010 - 08:00:03 PDT
