AMBER Archive (2004)

Subject: AMBER: constant pH simulations reference

From: Sergio E. Wong (swon9_at_itsa.ucsf.edu)
Date: Mon Nov 15 2004 - 19:50:16 CST

Dear Amber users;

   Is the methodology paper on running at constant pH in print?? I looked
for it, but didn't find anything just yet. I am looking at the effect of
using titratable groups and it is substantial. I guess I just want to
know how the energies are calculated for the monte carlo moves.

Thanks

-Sergio
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