[gmx-users] pH

[Mark Abraham]

On 9/05/2010 11:19 PM, pawan raghav wrote:
> Dear
>            I have defined pH = 7.0 in mdp file according to tutorial but
> it shows an error. what is the criteria to set the different  pH in .mdp
> file.

There is surely no GROMACS tutorial that says this, because GROMACS 
lacks such a feature, for good reason. See 
http://www.gromacs.org/index.php?title=Documentation/How-tos/Constant_pH_Simulation 
for discussion.

Mark