[AMBER] Ptraj cluster error

From: Valentina Romano <valentina.romano.unibas.ch>
Date: Mon, 4 Aug 2014 14:58:42 +0000

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
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
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