[AMBER] Constant protonation vs. constant pH simulation

From: nicholus bhattacharjee <nicholusbhattacharjee.gmail.com>
Date: Sat, 26 Jun 2010 08:19:18 -0400

Dear community,
                            As we know there are two ways of doing
simulation of proteins in AMBER: constant protonation and constant pH. My
query is that will the trajectories be of vast difference when we apply
this two methods in the same protein? Or will the conformation at different
time steps remain similar with marginal deviations? Thank you in advance.

Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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Received on Sat Jun 26 2010 - 05:30:03 PDT
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