sarbani chattopadhyay wrote:
Hi everybody,
I want to know is there any way to extract the
coordinates of both the protein and
counterions from the trajectory while writing the "pdb" file ie. I don't
want the water molecules
but only the protein and the counter ions.
I did not see that option wile trying to generate the pdb files.
Is there any way of doing this?
As with every Gromacs analysis (and processing) tool, you can create an index
file that contains whatever combination of groups you want.
-Justin
Thanks in advance
Sarbani
Ebay
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========================================
Justin A. Lemkul
Graduate Research Assistant
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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