AMBER Archive (2002)

Subject: protonation pH dependent

From: Cozmuta (ioana_at_wag.caltech.edu)
Date: Thu Aug 08 2002 - 16:14:46 CDT

Hi,

I looked into the amber e-mail archive if there is anything related to
protonation of proteins according to a certain pH. The only thing I could
find was something related to dynamics with different pH conditions but it
is from 2000.
What I want to do is sort of assign automatically protons to my protein
corresponding to different pH values. I thought that the protonate program
might have such an option but the only comment in the manual is that it
may be useful to try and use pol_h.
Is this the most up to date status in this matter (of protonation pH
dependent)?

Thank you,
IOana