Re: [AMBER] ptraj: Could not find target 302.280000 in any of the replica trajectories

From: Jason Swails <>
Date: Fri, 4 Jul 2014 12:58:02 -0700

On Fri, Jul 4, 2014 at 12:23 PM, Mele N. <> wrote:

> Thanks a lot for your answer,
> Actually I have a number of run for each replica, so you mean that just by
> providing the lowest replica it will recognized even all the different run?

​No. You need to provide the lowest replica number for _each_ run on a
separate trajin or ensemble line.

> ​​
> By the way I used amber12 , does it change the way to analyse the
> temperature trajectories compare to Amber14?

​No difference.

For example:

trajin run1.mdcrd.000
trajin run2.mdcrd.000
trajin run3.mdcrd.000

Assuming you named your files run1.mdcrd.000​, run1.mdcrd.001,
run.mdcrd.002, ... etc for the first run and then changed "run1" to "run2"
for the second run, etc.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Fri Jul 04 2014 - 13:00:02 PDT
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