Re: .inter.bin files?

From: Chao Mei (chaomei2_at_illinois.edu)
Date: Thu Apr 02 2009 - 13:05:11 CDT

Yes, you do need both of these files. You only need to specify the
".psf.inter" as your structure file in the configuration file, and NAMD will
automatically search for the ".bin" file.

We need to have these two files as a step towards very large system
simulation, say a 100-million-atom molecule.

-Chao Mei

--------------------------------------------------
From: "Joachim Hein" <j.hein_at_ed.ac.uk>
Sent: Thursday, April 02, 2009 10:24 AM
To: "namd-l" <namd-l_at_ks.uiuc.edu>
Subject: namd-l: .inter.bin files?

> Hi,
>
> we are having a play with the experimental reduced memory feature of the
> new NAMD 2.7b1 as described in the wiki:
> http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdMemoryReduction
>
> I noticed when I do the compression I ofter (always?) get two files,
>
> file.psf.inter
>
> and
>
> file.psf.inter.bin
>
> when the original psf file has the name file.psf. For a simulation, do I
> need both? Or what is the purpose of the .inter.bin file? The .inter.bin
> is typically quite large (not as large as the original psf) while the
> .inter is really small.
>
> Thanks
> Joachim
>
> --
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> The University of Edinburgh is a charitable body, registered in
> Scotland, with registration number SC005336.

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