VMD-L Mailing List

From: Phelan Jr., Frederick R. Dr. (frederick.phelan_at_nist.gov)
Date: Wed Apr 20 2011 - 10:23:29 CDT

The default when you read in a LAMMPS trajectory file to VMD is to display the atoms without bonds.

Is there a tool/script that generates the bond topology from the LAMMPS ".data" file associated with the ".lammpstrj" file which can then be incorporated using topotools?

On the topotools page (http://sites.google.com/site/akohlmey/software/topotools/topotools-tutorial---introduction), I see that there is information about building a LAMMPS data file from molecular data in VMD, so essentially, this is the reverse of that process.

Thanks,
Fred

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Frederick R. Phelan Jr., Ph.D.
Complex Fluids Group
Polymers Division
National Institute of Standards and Technology
________________________________
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Frederick.Phelan_at_nist.gov
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