Dear amber users
I am using ptraj to cluster coordinate frames from a given trajectory.
I am using the command cluster as follows:
trajin ../PknGAde_md_reimage20ns.mdcrd
cluster out PknGAde20ns representative pdb average pdb all amber averagelinkage clusters 5 rms :247 <:5.0
Ptraj exited with the following error message:
ERROR in safe_malloc: Error in alloc of -2021047296 bytes
Someone can help me to understand was is happening?
Thank you
Best,
Valentina
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Valentina Romano | PhD Student | Biozentrum, University of Basel & SIB Swiss Institute of Bioinformatics
Klingelbergstrasse 61 | CH-4056 Basel |
Phone: +41 61 267 15 80
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Received on Mon Aug 04 2014 - 08:30:02 PDT
