[gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6

Dejun Lin dejun.lin at gmail.com
Tue Apr 2 18:52:49 CEST 2013


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.



More information about the gromacs.org_gmx-users mailing list