[gmx-users] Performing protein-ligand GROMACS MD under pH 5 conditions

[Mark Abraham]

It depends. Google knows a fair bit about "constant pH md simulation"

Mark


On Mon, Mar 10, 2014 at 10:29 AM, MUSYOKA THOMMAS <
mutemibiochemistry at gmail.com> wrote:

> Dear Users,
> I am doing MD simulations involving lysosomal proteins catalases and small
> organic compounds and would be glad to know how I can achieve this under a
> pH=5 environment.
>
> Thank uou
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