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 <scinik...@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-requ...@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 -- 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-requ...@gromacs.org.
