VMD-L Mailing List

From: Paul Christopher Millett (pmillet_at_uark.edu)
Date: Sun Sep 05 2004 - 12:04:40 CDT

I just downloaded the software and it looks great. I use a self written MD
program. I simply need to be able to visualize the atoms as balls and the
velocity vectors of each atom. Which format would you suggest for output
files? The basic layout I was thinking is:

N (number of atoms)

x,y,z,vx,vy,vz,id (these are the position coord., velocity components, and
an integer to describe the atom)

 

I am working with crystalline atomic systems (not protein structures, etc.).
I was looking at the XYZ file format and this seems to work except I cannot
use any other information about the atoms. How do I name the XYZ files
(perhaps: file_name.xyz)? Thank you very much for your time.

 

 Paul Christopher Millett

 PhD Student, Computational Mechanics Lab.

 University of Arkansas

 4190 Bell Engineering Center

 Fayetteville, AR 72701

 work: 479-575-2229, cell: 479-466-5731

 

 


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