extracting interaction energies

From: Narender Singh Maan (nsmaan_at_gmail.com)
Date: Mon Oct 01 2007 - 15:20:36 CDT

can someone please tell me how to extract vanderWaal's and Electrostatic
interaction energies from MD simulation trajectories? (Not the one from the
output file, that's for the system (?) (water-water, protein-water,
protein-ions, water-ions, etc..), I am interested only in the vdw and
electrostatic energies of the protein with its surrounding water/ions within
a certain cutoff distance.

Any suggestion/comment/help would be greatly appreciated.
Thank you

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