Hi everybody, I am working with electrolytes simulations using Gromacs, so I am trying to get the residence time (ion pair lifetime, ion cage lifetime) of the ions. I tried to use gmx hbond with the option -contat, but if try get the acf of the interaction the program always has a crash, I also have tried Travis package, but the ACFs does not look nice in this application. So I am tring to write my own code for this analysis but I have a dead line coming soon, if some one know about a program in which I can do this analysis I will be very glad.
Thank you -- __________________________________________________ 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.
