Hi, My name is Tuanan and I am a Ph.D Student from Brazil. I am trying simulate Li+ using the polarizable force field of Roux (J. Chem. Theor. Comput., (2010), 6, 774-786) but I don't understand how i create my Li+ structure PDB file. I must insert a Drude particle in Li+ PDB file??? Someone would have a tutorial or a example of PDB file of monovalent ion with polarizable force field based on Drude?
Thank you for all. -- __________________________________________________ MSc. Tuanan C Lourenço Ph.D Student Physical Chemistry - Universidade Federal Fluminense Molecular Modelling and Computer Simullation Group - UFF MOLMOD-CS WEBSITE <http://molmod-cs.weebly.com/> -- 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.
