Re: pH in NAMD

From: Mark Abraham (mark.abraham_at_anu.edu.au)
Date: Thu Feb 08 2007 - 06:20:06 CST

> Hi
>
> Is it possible to change the pH in system for a NAMD simulation besides
> changing the state of the acids/base amino acids residues?

So if you wanted a pH of 6 in an explicit solvent MD simulation, say, how
many hydronium ions would you have per simulation cell, and which physical
model would you use?

Mark

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