I have performed a simulation for a protein-metal cluster complex system
for 500ns. While calculating MMPBSA analysis for the system, I had selected
two ranges of Trajectory period (100-110 ns; 290-300 ns) based on RMSD
profile of protein-metal cluster 500 ns simulation period and executed the
commands for a single range of trajectory period. In the result of the
binding energy of my system, values are void. Hence, I Kindly need your
valuable suggestions in this regard. Herewith I have attached the obtained
results of my system,
#Complex Number: 1
===============
SUMMARY
===============
van der Waal energy = -1144.250 +/- 28.405 kJ/mol
Electrostattic energy = 0.000 +/- 0.000 kJ/mol
Polar solvation energy = nan +/- nan kJ/mol
SASA energy = -25.841 +/- 1.107 kJ/mol
SAV energy = 0.000 +/- 0.000 kJ/mol
WCA energy = 0.000 +/- 0.000 kJ/mol
Binding energy = nan +/- nan kJ/mol
===============
END
===============
*Saranya Vasudevan,*
*Research Scholar,*
*Molecular Quantum Mechanics Laboratory,*
*Department of Physics,*
*Bharathiar University,*
*Coimbatore-46*
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