Mj Shab

2 Questions 1 Answers 0 Followers

Questions related from Mj Shab

NAMD VMD Free Energy Calculation using BFEE Plugin?

I am trying to use the BFEE Plugin to calculate Free Energy of a protein-ligand complex. I generated the relevant RMSD, Theta, Phi, etc folders and files but am unsure how to proceed? The...

10 January 2024 3,443 0 View

NAMD VMD NAMDEnergy Plugin Error "unable to access namd-temp.namd"?

I am trying to use the NAMD Energy plugin, but am repeatedly faced with the error "FATAL ERROR: Unable to access config file namd-temp.namd" I have tried moving the relevant files to the working...

10 January 2024 6,527 0 View