compute_density 1.0
-------------------

REQUIREMENTS: VMD Version 1.9.4 or greater

DESCRIPTION:
	Computes the overall mass density (g/cm3) per frame from a NAMD
	trajectory. Requires a PSF and DCD loaded in VMD with periodic cell
	info. Handles both orthorhombic and triclinic unit cells using the
	general triclinic volume formula. Outputs per-frame density, volume,
	and cell dimensions to a file, along with an average density summary.

PROCEDURES:
	compute_density - takes two arguments: the molecule id and the
	output filename

EXAMPLE USAGE:
	# Load your system
	mol new system.psf
	mol addfile trajectory.dcd waitfor all

	# Compute density for the top molecule
	source compute_density.tcl
	compute_density top "density.dat"

DOWNLOAD THE FILE:
	compute_density.tcl

AUTHOR:
	Diego Enry Barreto Gomes (dgomes@auburn.edu)