[gmx-users] Concatenate TPR files after restart

Justin A. Lemkul jalemkul at vt.edu
Thu Apr 17 16:54:29 CEST 2008

Quoting Ricardo Soares <rsoares at fcfrp.usp.br>:

> Hello everyone,
> I've extended one previously finished simulation from 5 ns to 10 ns. Now
> I have two tpr files. How can I merge both of them in only one file?
> I'm asking this because I need to use g_hbond and I wanna analyze the
> whole trajectory.

There is no need to concatenate .tpr files; they contain structure and parameter
information, and thus is does not make sense to add them together.  To analyze
the whole trajectory, supply g_hbond the starting .tpr file along with your
trajectory file.


> Best regardings.
> --
> ___________________________________________________________
> Ricardo Oliveira dos Santos Soares
> Post-graduation Student in Biological Physics
> University of Sao Paulo - USP
> Faculty of Farmaceutical Sciences of Ribeirao Preto - FCFRP
> Phone: 55 (16) 3602-4840
> Curriculum Lattes - http://lattes.cnpq.br/0777038258459931
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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