Mj Shab

3 Questions 1 Answers 0 Followers

Questions related from Mj Shab

NAMD VMD Unknown parameter File error when running FEP Simulations?

Hello, I am trying to run FEP simulations using NAMD VMD, yet am repeatedly faced with this error FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE par_all36_carb.prm LINE=*MASS -1...

03 September 2024 2,471 0 View

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 3,527 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 6,606 0 View