[gmx-users] question about pdb2gmx

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Thu Jul 19 11:00:55 CEST 2012


Hi everybody,
I want to add protonation states to my protein with pdb2gmx.
I now that there are the options:

-lys -arg -asp -glu -his

to do this.

But was is about the cystein. How can I protonate this one?
Is there also an option for it which I haven't seen?

Thank you ,
 Eva




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