From: Subramanian Vaitheeswaran (vaithee_at_umd.edu)
Date: Tue Apr 08 2008 - 15:49:03 CDT

Dear vmd community,

The system I am simulating consists of two small solute molecules in a cubic water box. I want to wrap the coords in the dcd trajectory so that the nearest images of the solutes are displayed, using the usual minimum image convention.

"pbc join" in PBCTools ver. 2.1 looks like it might do the job. I updated my plugins installation from: http://www.ks.uiuc.edu/Research/vmd/plugins/186update1/ ,
but only PBCTools ver. 2.0 is included.

My question is: can "pbc join" be used to display nearest images of two molecules? If so, how can I get it to work? I greatly appreciate any help.

Vaithee
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S. Vaitheeswaran
Post-doctoral Research Associate
Institute for Physical Science & Technology
Rm 2116, Bldg. 85
University of Maryland
College Park MD 20742
email: vaithee_at_umd.edu
Phone: 301-405-7568
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