VMD-L Mailing List

From: Villalain Boullon, Jose (jvillalain_at_umh.es)
Date: Mon Feb 11 2019 - 10:35:46 CST

Dear all,

I have been trying to obtain the two-dimensional mean squared displacement (MSD)-based diffusion coefficient of a lipid in a membrane using the VMD Diffusion Coefficient Tool (https://github.com/tonigi/vmd_diffusion_coefficient/tree/master/doc#).

However, I have several trajectories (65 trajectories, 300 ns) and I have not found the way to concatenate the results for each one of them and obtain the MSD.

Could you please point me how to do it or a link where I could obtain the MSD throughout all the trajectories?.

Thanks a lot.
José.