[gmx-users] anyway to combine tpr?

[Nuno R. L. Ferreira]

Hi Raj!

I think you only need one of those tpr files, because they contain almost
the "same data".
They only differ on the start dt end ending times for your MD. The topology
information remains the same.

Kind regards.
Nuno

P.S. Or, even if I'm not correct, you could build a tpr for your entire
simulation, just change the dt flag to the total MD run.

######################################
Nuno Ricardo Santos Loureiro da Silva Ferreira
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra - Portugal
Fax: +351 239 827703  - www.biolchem.qui.uc.pt
########################################
----- Original Message ----- 
From: "Raj Badhan" <r.k.badhan at stud.man.ac.uk>
To: <gmx-users at gromacs.org>
Sent: Tuesday, January 13, 2004 3:58 PM
Subject: [gmx-users] anyway to combine tpr?


> Dear All,
> Just a quick question. Is there anyway to combine multiple tpr files
> for the same system?
> We have to run our simulations at short time intervals due to the
> time limit on our supercomputer. This then leads to a number of
> consectutive tpr files.
> I we wanted to use commands such as g_rmsf, how would be
> combine all tpr files just as we have done with the trr or would we
> use the final tpr file from the final run in out g_rmsf commands?
> Many thanks
> Raj Badhan
> Postgraduate researcher
> School of Pharmacy and Pharmacetical Science
> The University of Manchester
> Manchester, UK.
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