From: Alessandro Pedretti (alessandro.pedretti_at_unimi.it)
Date: Sat Jan 07 2006 - 04:14:55 CST
if you want manage (show, analyze and join) big DCD files ( > 2 Gb), you
could try VEGA ZZ (http://www.ddl.unimi.it/vega/) which file size limit is
related to the file system (see FAQ:
http://www.ddl.unimi.it/vega/manual/pages/faq.htm). As an example, if you
are using NTFS, the maximum file size is 16 Exabytes.
----- Original Message -----
From: "Jorge Pikunic" <jorge.pikunic_at_bioch.ox.ac.uk>
Sent: Friday, January 06, 2006 5:45 PM
Subject: namd-l: problems reading large dcd file
> I am having problems reading dcd files from simulations of a fairly
> large system (200,000 atoms). The size of each file is about 2.1 GB. I
> have tried doing:
> 1. catdcd: catdcd -num production_1.dcd , and I get:
> CatDCD 3.0
> read_dcdreader returned -6
> Error: could not open file 'production_1.dcd' for reading.
> 2. vmd: When I try to load the dcd file, after loading the psf file, I
> get "unable to load molecule". I get the same result even if I try to
> load only one frame.
> I have been able to read larger files from different systems (> 5 GB)
> with catdcd. Also, I can read smaller dcd files (1.7 GB) from shorter
> simulations of the same system. I have checked the NAMD output files,
> but there is nothing strange; NAMD wrote to dcd files periodically and
> there are no errors reported.
> Any ideas of what might be wrong?
> Thank you,
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