[gmx-users] How to compare two pdb files
Justin A. Lemkul
jalemkul at vt.edu
Sat Jun 16 14:58:00 CEST 2012
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
> 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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