VMD-L Mailing List

From: winardi, erik (egw24_at_yahoo.com)
Date: Wed Aug 03 2011 - 19:39:47 CDT

Dear VMD Community,  I am looking for some information about how to use VMD to output the coordinates of atoms (in the xyz format) of the molecular system.  I have the initial coordinates of the molecular system in the ".car" format and the trajectory of atoms saved at each specified time step during the numerical calculations by the LAMMPS code which is ".xyz" format.  Both files can be read into VMD and animate the evolution of various molecules in the system.  However, I cannot find a way to output the coordinates of atoms at one instance in the .car or .xyz format. Could anybody help me ? Many Thanks! Erik Winardi Student at UAB