[gmx-users] Simulation in Constant pH simulation ...

[Catarina A. Carvalheda dos Santos]

Nikhil,

You might want t check this link to start with:
http://www.gromacs.org/Documentation/How-tos/Constant_pH_Simulation.

Also a simple google search "GROMACS Constant pH MD" should give you some
idea of the available options.

Regards,

On 15 June 2016 at 16:08, Nikhil Maroli <scinikhil at gmail.com> wrote:

> Dear all,
>
> I wanted to do MD in different pH such as 2,4,6,7.4,8,10,12 to check the
> stability of the peptide in the different pH environment. What is the
> possibility in Gromacs  ? any keyword or method to set fixed pH?
>
> --
> Regards,
> Nikhil Maroli
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>
> The University of Dundee is a registered Scottish Charity, No: SC015096
>



-- 
Catarina A. Carvalheda

PhD Student
Computational Biology Division
SLS & SSE
University of Dundee
DD1 5EH, Dundee, Scotland, UK