VMD-L Mailing List
From: Ranyere Deyler (ranyere_at_gmail.com)
Date: Wed Mar 16 2011 - 09:24:54 CDT
- Next message: Axel Kohlmeyer: "Re: MSD calculation from VMD RMSD plugin."
- Previous message: jnsong: "Problem with using bigdcd.tcl"
- Next in thread: Axel Kohlmeyer: "Re: MSD calculation from VMD RMSD plugin."
- Reply: Axel Kohlmeyer: "Re: MSD calculation from VMD RMSD plugin."
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Dear VMD users, i searched in the list for this question and i saw one or
two reply but it's still not clear.
What i want is to plot the MSD over time, so i can plot it and get some
information over de diffusion, whether it is a superdiffusive or
subdiffusive proccess.
Well, namd has the "RMSD trajectory" plugin. So, theoretically i would have
to get the square of the RMSD found on VMD plugin and then plot it.
So i ask. Is that right? In this case, of vmd plugin, the square of the RMSD
trajectory will give me the MSD?? Can i use it to look at the diffusion
coefficient??
Thanks a lot.
Ranyere Deyler Trindade
- Next message: Axel Kohlmeyer: "Re: MSD calculation from VMD RMSD plugin."
- Previous message: jnsong: "Problem with using bigdcd.tcl"
- Next in thread: Axel Kohlmeyer: "Re: MSD calculation from VMD RMSD plugin."
- Reply: Axel Kohlmeyer: "Re: MSD calculation from VMD RMSD plugin."
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]