Re: [AMBER] Combining repeated MD trajectories

From: Song, Lin <songlin3.chemistry.msu.edu>
Date: Tue, 8 Sep 2020 01:23:06 +0000

Hi,

You can use cpptraj of AmberTools to combine them: http://ambermd.org/tutorials/analysis/tutorial0/index.htm

Best,
Lin

On Sep 7, 2020, at 7:59 PM, Nada Afiva <nadaafiva.gmail.com<mailto:nadaafiva.gmail.com>> wrote:

Dear Amber,
I run 100 ns MD and then I repeated it 2 times, so I have 3 trajectories
for the same system.
Now I want to combine the 3 trajectories into one single trajectory and I
will use the single combined trajectory
to calculate the RMSD ad other analyses.
Please let me know how to combine the 3 trajectories into one single
trajectory.
Thank you.

Best regards,
Nadaafiva
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Received on Mon Sep 07 2020 - 18:30:02 PDT
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