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Questions related from Mubashar Ilyas
Dear colleagues, I hope you are doing well. I want to ask about a question related to the thermodynamics parameters from the frequency log file. I want to calculate the Gibbs free energy, Enthalpy...
30 November 2023 7,333 1 View
I have completed my molecular dynamics (MD) on three complexes and protein alone. All the three complexes have Higher RMSD value than the protein alone. How can we justify this Higher RMSD of...
10 April 2022 7,332 2 View
Dear Colleagues, We have performed MD for RMSD and RMSF calculation of Ligand-protein complex using NAMD/VMD. Now, one reviewer is insisting us to also calculate RMSD and RMSF of Ligand only. Is...
28 October 2021 5,348 4 View
