[gmx-users] trjconv index file

[Mark Abraham]

----- Original Message -----
From: Rabab Toubar <rtoubar at yahoo.com>
Date: Wednesday, June 16, 2010 21:10
Subject: Re: [gmx-users] trjconv index file
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: Mark Abraham <mark.abraham at anu.edu.au>

> Hi,
> 
> I want to extract the protein only without the waters. And from 
> the mailing list discussing trjconv, what I did was:
> 
> make_ndx -f conf-protein 
> 
> trajconv -f pr.trr -n index.ndx -o pr_trj.trr
> 
> , but I get file input/output error 
> 
> Am I missing something?

Yes. Your email is missing copied and pasted input and output :-) Your spelling mistake in "trjconv" is a giveaway.

Mark

> Thanks
> Rabab Toubar
> 
> 
> --- On Tue, 6/15/10, Mark Abraham <mark.abraham at anu.edu.au> wrote:
> 
> From: Mark Abraham <mark.abraham at anu.edu.au>
> Subject: Re: [gmx-users] trjconv index file
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Date: Tuesday, June 15, 2010, 6:10 PM
> 
> 
> 
> ----- Original Message -----
> From: Rabab Toubar <rtoubar at yahoo.com>
> Date: Wednesday, June 16, 2010 1:44
> Subject: [gmx-users] trjconv index file
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> 
> > 
> > Trying to extract the protein from the md run without waters, 
> > all the mailing lists suggests using an index file
> >  before running trjconv, but I get file input/output error
> >  Can someone give me more details on how to egt the index
> >  file
> 
> If you want useful help, you have to tell us exactly what you 
> did - copy and paste command lines and output.
> 
> Otherwise, you'll just get people throwing up their hands and 
> giving you a reference to generic material, like 
> http://www.gromacs.org/Documentation/File_Formats/Index_File
> Mark
> 
> -----Inline Attachment Follows-----
> 
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