[gmx-users] How to compare two pdb files

Justin A. Lemkul jalemkul at vt.edu
Sat Jun 16 15:24:29 CEST 2012

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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