VMD-L Mailing List

From: EPF (Esben Peter Friis) (epf_at_novozymes.com)
Date: Sun May 23 2004 - 15:31:55 CDT

 
Hi Ilja and VMD'ers :-)

(Typo? You refer to .crd files as trajectories - Charmm trajectories are normally called .dcd . It may be possible to store the trajectory as a .crd file, but they are text files, and should have no problems when transferred between architectures.)

I have no experience with Itanium or Itanium2, but CHARMM (or NAMD)trajectories (.dcd) created on a SGI Octane (64bit MIPS R10000) can be read directly by VMD on a 32bit machine. I would expect that only the endianism (byte order) is different in the files.

Cheers,

Esben

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu
To: ILJA Khavrutskii
Cc: vmd-l_at_ks.uiuc.edu
Sent: 23-05-04 02:45
Subject: Re: vmd-l: How to read i8(64 bit) .crd file with 32 bit VMD

Hi,
  I don't have any 64-bit Charmm CRD files to test with, so at present
its unlikely that _any_ version of VMD would read them if they differ
substantially from normal ones. If you can provide us with examples
of such files, we could try make them work on 32-bit machines.

  John Stone
  vmd_at_ks.uiuc.edu

On Sat, May 22, 2004 at 10:07:23AM -0700, ILJA Khavrutskii wrote:
> Dear VMD people,
>
> Can vmd built for 32 bit linux machine (such as Xeon) read CHARMM
> trajectory (*.crd) generated on 64 bit machine (such as Itanium2)?
> I know the work around it via DYNA FORM/DYNA UNFO to transfer files
> between architectures, but was hoping that there might be an easy way
in
> VMD.
>
> Has anyone compiled VMD on Itanium2 machines, to be able to view i8
> CHARMM trajectories?
>
> Sincerely,
> Ilja
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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