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.
Thanks
Tamal
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:27 CST