SMD with different pH

From: Volodymyr Nechiporuk-Zloy (
Date: Fri Mar 05 2004 - 07:52:55 CST

Dear NAMD users,

I want to model the unbinding of a peptide from a protein with
different pH (6.0-7.5). How can I perform this? How can I note the pH of
solution in the model. I want to use namd2 (SMD). I can also use other
packages of programs. Any suggestions will be lelpfully.

Sincerely your,


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