I have used ptraj for cluster analysis of a small organic molecule with the following
command and got the 'Segmentation fault'. I have checked the amber archive and did not
really find any answer. Any would be appreciated!
best wishes..
input:
trajin ../md11.mdcrd
trajin ../md2.mdcrd
cluster out clusters crown all amber representative pdb average pdb averagelinkage sieve
10 clusters 10 rms :1-1
---------------------------------------
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 - 00:30:02 PDT
