[gmx-users] How to compare two pdb files

delara aghaie d_aghaie at yahoo.com
Sat Jun 16 15:35:47 CEST 2012

Dear Justin
That really helped me : )

 From: Justin A. Lemkul <jalemkul at vt.edu>
To: delara aghaie <d_aghaie at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Saturday, 16 June 2012, 17:54
Subject: Re: [gmx-users] How to compare two pdb files

On 6/16/12 9:19 AM, delara aghaie wrote:
> Dear Justin
> Thanks for your explanation, but the problem is when the results are printed out
> on screen, we can see only the end part of it, as the window does not let us to
> see the whole output. Is there any way to solve this?

Redirect the shell output into a file, i.e.

gmxcheck -s1 file1.tpr -s2 file2.tpr > diff.txt

Alternatively, pipe the output through the 'more' command

gmxcheck -s1 file1.tpr -s2 file2.tpr | more



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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