[gmx-users] How to input multiple trr files?

[francesco oteri]

Gromacs is able to load you AMBER trajectory so you don't need to perform
any conversion

---------- Messaggio inoltrato ----------
Da: a a <patd_2 at hotmail.com>
Date: 08 marzo 2012 11:46
Oggetto: RE: [gmx-users] How to input multiple trr files?
A: gmx-users at gromacs.org


 Dear Mark,

In fact, I was converting the AMBER trajectories to trr format by VMD.
 However, my VMD is failed to load so large trajectories files.

I guess I can convert several trr files into one trr file.  Is it possible
to be done with GROMACS?  If yes, how can I do it?

Many thanks,

Catherine

------------------------------
From: mark.abraham at anu.edu.au
To: gmx-users at gromacs.org
Date: Thu, 8 Mar 2012 21:36:03 +1100
Subject: Re: [gmx-users] How to input multiple trr files?


On 08/03/12, *a a *<patd_2 at hotmail.com> wrote:


Dear Gromacs experts,

I am trying to use the following command:

g_covar -s file.pdb -f dynamic.trr -o -v

However, since my trr file is too large, I have to separately prepared it
into dynamic1.trr dynamic2.trr, dynamic3.trr.

Would you mind to instruct how to input several trr files, how to modify
the above command line?


This is not possible. Input to all GROMACS tools must be in one file, with
rare exceptions for algorithms that do the same thing on several files.
Either you need a filesystem capable of dealing with the large file, or
follow the advice here
http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume

Mark

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-- 
Cordiali saluti, Dr.Oteri Francesco
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