[gmx-users] Fwd:

[saranya]

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*