VMD-L Mailing List

From: Phelan Jr, Frederick R. Dr. (frederick.phelan_at_nist.gov)
Date: Mon Apr 02 2012 - 14:50:47 CDT

I am running in a coarse-grained model in LAMMPS and then reading the results into VMD using the topotools readlammpsdata routine ... is there any way to AUTOMATICALLY associated the sigma values in the input file with the display size of the beads? i.e., without tying in by hand ...

set sel1 [atomselect top {index 0 to 999}]

$sel1 set radius 1.0

$sel1 set name A

$sel1 set type A

$sel1 set mass 1

Etc.

Thanks,
Fred

________________________________
Frederick R. Phelan Jr., Ph.D.
Complex Fluids Group
Polymers Division
National Institute of Standards and Technology
________________________________
NIST, Bldg. 224/Rm. A209
100 Bureau Dr., STOP 8542
Gaithersburg, MD 20899-8542
301.975.6761 (VOX)
301.975.4924 (FAX)
frederick.phelan_at_nist.gov<mailto:frederick.phelan_at_nist.gov>
My Polymers Home Page<http://www.nist.gov/mml/polymers/complex_fluids/fred-phelan.cfm>