Re: Molecular Volume

From: Leonardo G. Trabuco (
Date: Thu Mar 30 2006 - 23:38:04 CST

On Fri, Mar 31, 2006 at 09:52:26AM +0530, Tamal Banerjee wrote:
> I need to calculate the molecular volume of some compounds.I have run the
> MD simualtion in NPT ensemble.The final coordinates are stored in .coor
> files.How do i acess that file..probably it is a binary file.How can i get
> the coordinates from it in a more meaningful for e.g .pdb file.

You can load the coordinates in VMD and write a pdb file.


Leonardo Giantini Trabuco
Ph.D. student
Center for Biophysics and Computational Biology
University of Illinois at Urbana-Champaign

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