Hi Ksenie, I don't think you'll be able to find a proper atomistic force field description for lanthanide either. Check http://www.gromacs.org/Documentation/How-tos/Parameterization.
But in general, no, you can't mix force fields, and definitely not ones of different resolution. In addition, think of what it means, a coarse grained ion. Usually it's either something that binds one part of a protein to another (emulate with some bonds), or it is a sphere of water with something in it that happens to bear some charge, like in the ion definitions in Martini. Cheers, Tsjerk On Wed, Apr 20, 2011 at 7:54 AM, ksenia248 <[email protected]> wrote: > Hello. I am trying to simulate the supramolecular organization of liquid > crystalline complex of lanthanide by coarse-grained molecular dynamics. But > I have some problems with force fields. I can not find coarse-grained force > field for lanthanide ion. Can I use atomistic force field oplsaa.ff for > lanthanide ion and Martinin force field for other groups of atoms together > in one simulation? Or may be you can recommend me some other coarse-grained > force fields? Thank you very much. > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
