On Thu, May 17, 2012 at 11:47 AM, priya thiyagarajan < priya.thiyagaraja...@gmail.com> wrote:
> Respected sir, > > i want to add metal ions Ni2+ and co2+ during my simulation. > > can anyone help me how to set parameters to define new ion Ni2+ and co2+ > in gromacs forcefield.. > > i edited in ions.itp file and tried but i got error atomtype not found.. > You need to modify the .rtp file as well. Follow this: http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field -Anirban > > can anyone please explain me elaborately how to set parameters .. > > please help me with your answer.. > > Thanking you, > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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