Dear Gromacs Users!
Could someone provide me with the tutorial example with the algoritm of ussing Nose-Hover chains thermostat. In particular It's not quite understood for me how I should define number of chains in the mdp file and how that number would affect on simulation performance (E.g In literatute I found that infinite chain number should give me maximum degree of ergodicity for my trajectory assuming modelling in cannonical ensemble). James -- 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
