[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.


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