From: Tamal Banerjee (tamal_at_iitk.ac.in)
Date: Thu Mar 30 2006 - 22:22:26 CST
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.
If any one has got the script for calculating the Molecular volume from
the final structure then it would be very helpful.
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