VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jun 17 2019 - 16:36:15 CDT

Hi,
  You get the PBC unit cell information the same way for all
file formats, by querying it, as below.

Check current frame:
  molinfo top get frame

Get PBC cell info:
  molinfo top get {a b c alpha beta gamma}

Best,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jun 17, 2019 at 03:16:45PM -0400, Parviz Seifpanahi Shabane wrote:
> Hi All,
> I have Anton (supercomputer) trajectory which by using the VMD, changed
> the format to dcd. I have a file.dms (desmond file for Anton
> supercomputer) and file.dcd. How can get box information (especially
> volume) for each time steps?
> Best Â
> --
> Parviz Seifpanahi
> Ph.D. Candidate
> Department of Physics
> Virginia Tech, Blacksburg, Va 24061 

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