VMD-L Mailing List

From: Efthymiou, Christos (christos.dereschuk.20_at_ucl.ac.uk)
Date: Thu May 19 2022 - 14:53:57 CDT

Hello,

I have been using QwikMD/NAMD to run MD simulations and then using the Basic Analysis and Advanced Analysis tab in QwikMD to calculate things such as the RMSD and RMSF. However, I run 3 simulations for each setting to have replicate results, and I would like to be able to plot the RMSD/RMSF/SASA values from the three trajectories on a single plot. Plotting the average of the 3 on the same plot would also be ideal. Is this possible in QwikMD/VMD? If not, what software is best suited for this?

Best,
Christos