[gmx-users] how to know the pH of a solution

[baptista at itqb.unl.pt]

This issue was discussed many times here, so a good way to start is by 
searching the mailing list. There is also a FAQ entry on this:
http://www.gromacs.org/Documentation/How-tos/Constant_pH_Simulation

Best,
Antonio

On Tue, 29 Nov 2011, cuong nguyen wrote:

> Dear,
> 
> I have made a 10x10x10 box with 200 hexanoic acid molecules and fill full of
> water.
> 
> Please let me know how can I do to know and change the pH of this solution?
> 
> Thank you very much.
> 
> 
> Cheers,
> 
>  
> Nguyen Van Cuong
> PhD student - Curtin University of Technology
> Mobile: (+61) 452213981
>  
> 
> 
> 
--
Antonio M. Baptista
Instituto de Tecnologia Quimica e Biologica, Universidade Nova de Lisboa
Av. da Republica - EAN, 2780-157 Oeiras, Portugal
phone: +351-214469619         email: baptista at itqb.unl.pt
fax:   +351-214411277         WWW:   http://www.itqb.unl.pt/~baptista
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