Am Freitag, 12. September 2008 schrieb sarbani chattopadhyay:
> 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?
You can create an index file, containing a union of both groups and then
provide this to trjconv.
Best
Martin
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