From: Ralph Jimenez (rjimenez_at_jila.colorado.edu)
Date: Wed Nov 09 2005 - 16:55:14 CST
I'm running simulations on a protein with a cofactor in a periodic
box. How does one output the energies of the total energy, bonded
energy, electrostatic, etc. for only the cofactor?
Can this information be obtained from the DCD file, or does the
simulation have to be set up to output this information beforehand?
-- Ralph Jimenez, Ph.D. JILA and Department of Chemistry 440 UCB University of Colorado, Boulder Boulder, CO 80309-0440 Tel: (303) 492-8439 FAX: (303) 492-5235
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