[gmx-users] How to compare two pdb files

[Justin A. Lemkul]

On 6/16/12 8:54 AM, delara aghaie wrote:
> Dear Justin
> I expected the gmxcheck program to print all the differences between nvt.tpr and
> npt.tpr.
> It seems that this only writes the velocities of atoms in x,y and z direction.
> Am I right?
>

No.  It prints all differences it finds.  Thus, if it's only printing 
velocities, all other information in the .tpr files is the same, but the 
velocities are different.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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