VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed May 03 2006 - 14:15:13 CDT

Hi,
  This tells me two things:
1) You're using loading the DCD with one of the older versions of VMD
   (which defaulted side lengths to 1.0, new version defaults to 0.0)

2) Your DCD trajectory was written by an older version of NAMD that didn't
   save periodic cell information in the DCD file.

It would be helpful to know the precise version of NAMD you're running,
since that'll tell me much more about the particular DCD style you're
working with. (the NAMD DCD output has changed a few times over the years...)

  John Stone
  vmd_at_ks.uiuc.edu

On Wed, May 03, 2006 at 07:04:48PM +0000, ziemys_at_ecr6.ohio-state.edu wrote:
> Hi,
>
> When I apply "molinfo top get {a b c} fram ..." in tcl, i got the length equal to 1.00. I have used to load NAMD output DCD with PSF.
>
> Why the cell length are missing ?
>
> With best
> Arturas Z.
> 

-- 
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
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