[gmx-users] proton proton exchange and constant pH simulations.

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jan 27 12:29:35 CET 2011


On 27/01/2011 9:44 PM, Olga Ivchenko wrote:
> Dear gromacs users,
>
> I want to ask if is it possible to amke proton proton exchange 
> simulations by now and constant pH simulations in new versions of Gromacs.

Not sure what you mean, but probably not. See recent publications from 
Lindahl group for what is possible.

Mark



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