[gmx-users] Re: on MD at constant pH (Acoot Brett)

[Gerrit Groenhof]

You could have a look at 
Donnini et al, JCTC 7 (2011), 1962-1978
And with teh code available from 
http://www.mpibpc.mpg.de/home/grubmueller/projects/Methods/ConstpH/index.html
give it a try for your problem.

Gerrit

> 
>   1. on MD at constant pH (Acoot Brett)
>    
> 
> Dear All,
> 
> Currently is it possible to run MD at a constant pH value?
> 
> I am looking forward to getting a reply from you.
> 
> Cheers,
> 
> Acoot
> -