Subject: CHARMm trajectory files-difference between SGI and alpha outputs

From: Amir Gil <[email-masked]>
Date: Tue, 6 Feb 1996 09:06:34 +0200 (IST)

Hello netters!
I have a problem reading trajectory binary files.The files are produced by 
CHARMm (v23f3) on DEC ALPHA machine, and I am trying to read them on SGI 
INDY machine.
To test it I produced the same files on the INDY machine and they were 
different(by the diff commaned) but the same size. When trying to read 
the ALPHA produced files by the SGI machine you get an EOF message and 
the program stops.
Does anybody have a solution to this?
Mabe there is a simple translator ?
  Thanks in advance
   Amir
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From: Walter Polkosnik <[email-masked]>
Date: Tue, 6 Feb 1996 04:00:49 -0500 (EST)

> Mabe there is a simple translator ?

Different computer architectures store data differently, because of
microprocessor hardware details. In order to convert your DEC files to
SGI, you first must use the DYNA FORM command on the DEC DCD files
to convert the files to text (DHX) format. You then need to ftp those files
to the SGI and run the text files through DYNA UNFORM in CHARMm. I have
done this before to convert Cray files to SGI files. If you need ore
information I can send you my CHARMm input files that do this.