[gmx-users] How To Adjust the Ionizataion State

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 31 13:27:39 CET 2007

nur avneet wrote:
> Dear All
> Please let me know how to adjust the ionization state of the amino acid 
> side chains

man pdb2gmx

> and what is the default pH taken in Molecular Dynamics.

That depends on the system you are trying to model.


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