[gmx-users] Pullx file

Aswathy ammasachu at gmail.com
Sat Jul 31 08:07:53 CEST 2010

Dear friends,

I have pulled a ligand through the channel. Here i kept one residue at the
mouth of the channel as reference and group1 is one of the atom in the side
chain of the ligand.

Now I have the pullx file,( and here 1dz is the z coordinate of
group1-group0), but here I would like to have z-coordiante of the
ligand(instead of the single atom at the side chain)-group1. Becuase I
beleive , that will give the correct position of the ligand (please correct
me if I am wrong)

Is there any way to do this without running the SMD again?

I have plotted the g_dist between the reference group and the ligand. But
that does not take the place of pullx. Please give your suggestions.


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