[gmx-users] pH

Mark Abraham Mark.Abraham at anu.edu.au
Sun May 9 15:37:42 CEST 2010

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 
for discussion.


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