Thanks you very much for your help,
I will try it tomorrow and let you know if it work.
________________________________________
De : Jason Swails [jason.swails.gmail.com]
Envoyé : vendredi 4 juillet 2014 20:58
À : AMBER Mailing List
Objet : Re: [AMBER] ptraj: Could not find target 302.280000 in any of the replica trajectories
On Fri, Jul 4, 2014 at 12:23 PM, Mele N. <nm10g13.soton.ac.uk> 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.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Jul 04 2014 - 13:30:02 PDT
