i tried to run in OPLSAA force field sir.
*Saranya Vasudevan,* *Research Scholar,* *Molecular Quantum Mechanics Laboratory,* *Department of Physics,* *Bharathiar University,* *Coimbatore-46* On Tue, Oct 6, 2015 at 7:39 PM, Ebert Maximilian <m.eb...@umontreal.ca> wrote: > Maybe you should start telling is which force field you are trying to use. > GROMACS provides 15 different. > > Max > > > On Oct 6, 2015, at 1:51 AM, saranya <saranyahone...@gmail.com> wrote: > > > > GROMACS users, > > > > I was trying to perform a MD simulation of a system with a protein with > Ag+ > > metal ion but realized that GROMACS does not have parameters for the Ag+ > > ion. I tried to include the parameters in the ion.itp file but did not > > succeed yet. Does anyone knows the right procedure to introduce this ions > > into the file ions.itp? do we have to change anything more in order to > > GROMACS recognize the new ion? > > > > With Regards > > > > *Saranya Vasudevan,* > > > > *Research Scholar,* > > > > *Molecular Quantum Mechanics Laboratory,* > > > > *Department of Physics,* > > > > *Bharathiar University,* > > > > *Coimbatore-46* > > -- > > 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. > > -- > 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. > -- 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.