HI, Are you using a third-party tools for MMPBSA analysis? You could ask directly to the authors Best regards Alessandra
On Wed, Feb 5, 2020 at 7:19 AM saranya <saranyahone...@gmail.com> wrote: > 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* > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.