[gmx-users] Concatenate TPR files after restart

[Justin A. Lemkul]

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.

-Justin

>
> 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
> ___________________________________________________________
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>



========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

========================================