Hi Michael, Do the codes now support walking in multidimensional parameter space? i.e., a state is defined by a set of lambda parameters {l1,l2,l3,...,ln} and a MC move is attempted along one of the parameter, which is randomly picked.
Thanks, Dejun -- View this message in context: http://gromacs.5086.n6.nabble.com/Hamiltonian-replica-exchange-umbrella-sampling-with-gmx-4-6-tp5006187p5006842.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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