VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Mar 09 2009 - 09:45:56 CDT

Hi,
  If you can send me a gzipped copy of the pbeq file you computed, I may
be able to figure out what's going wrong with reading it. I'm guessing
that you used a 64-bit charmm build and that charmm is outputting different
data when compiled for 64-bit mode than when compiled for 32-bit mode.
Any comments you may have about how charmm was compiled would be helpful.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Sun, Mar 08, 2009 at 05:36:47PM +0100, Jure Praznikar wrote:
> I have calculated ele pot(pbeq) using chramm-gui server and I read a
> binary chram file in VMD. I have run VMD on my macbook(intel osx10.5).
> Everything worked OK.
>
> Then I made some ele. pot. calculations on our computers(intel-Linux).
> After that I tried to read binary file again on my macbook. But VMD
> answer to me
> with next message(error):
> "pbeqplugin) length record != 44, unrecognized format (length: 939524096)
> ERROR) Could not read file
> /Users/jure/Desktop/dr/pb_results/thym/2fofc/step2_pbeq.phi80"
>
> What is a problem?
>
> I have used next VMD and CHARMM versions:
> VMD for MACOSXX86, version 1.8.6 (April 6, 2007)
> CHARMM - c36a1
>
>
> XJureX
>
>
>
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078