Re: [AMBER] RMSD for two trajectories

From: Niel Henriksen <niel.henriksen.utah.edu>
Date: Wed, 22 Dec 2010 18:20:30 -0700

You could combine the trajectories and use the "2drms" command.
You would have to be careful about prmtop compatibility though ...
It wouldn't be straightforward, but it might work.

--Niel
________________________________________
From: Maryam Hamzehee [maryam_h_7860.yahoo.com]
Sent: Wednesday, December 22, 2010 5:31 AM
To: amber list
Subject: [AMBER] RMSD for two trajectories

Dear All

I have two trajectories of MD simulation related to wild type and mutant form of my ligand in the complex of receptor-ligand. I would like to compare the RMSD of pairwise structures but I have not found any option in VMD in order to do that. How can I compare the RMSD of two seperate trajectories.

Any help would be appreciated.

Cheers,
Maryam



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Received on Wed Dec 22 2010 - 17:30:02 PST
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