[gmx-users] trjconv does not work

[Alan Dodd]

The length of your simulation is irrelevant, the frequency of frame output is.  If you don't output frames at least 5x per picosecond, asking for the frames in a 0.1ps gap is not going to produce an output - because there probably won't be any.  Check your mdp.

----- Original Message ----
From: OZGE ENGIN <OZENGIN at KU.EDU.TR>
To: gmx-users at gromacs.org
Cc: gmx-users at gromacs.org
Sent: Monday, November 19, 2007 5:12:51 PM
Subject: Re: Re: [gmx-users] trjconv does not work


Of course, I am performing a 40 ns simulation, and 14 ns of it has been
 finished. 

What may be the problem? I know, I can extract specific frames via VMD,
 but it changes atom types after saving in pdb format.

-----Original Message-----
From: Ran Friedman <r.friedman at bioc.uzh.ch>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Date: Mon, 19 Nov 2007 17:53:16 +0100
Subject: Re: [gmx-users] trjconv does not work

I see. Do you have any structure between t=0.1ps and t=0.2ps?

Ran.

OZGE ENGIN wrote:
> The command line ws the following:
>
> trjconv -s peptide_b4md.gro -f traj.xtc -b 0.1 -e 0.2 -o file_1.pdb
>
>   

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