subject:"\[gmx\-users\] Hamiltonian REMD"

Re: [gmx-users] Hamiltonian REMD

2015-11-25 Thread Michael Shirts

Most of this should still be applicable for 5.0.4. http://www.alchemistry.org/wiki/GROMACS_4.6_example:_Direct_ethanol_solvation_free_energy On Wed, Nov 25, 2015 at 6:23 AM, Sanja Zivanovic wrote: > Could you please tell me how I can perform Hamiltonian replica exchange > simulations in Gromacs

[gmx-users] Hamiltonian REMD

2015-11-25 Thread Sanja Zivanovic

Could you please tell me how I can perform Hamiltonian replica exchange simulations in Gromacs version 5.0.4 without using PLUMED? Thanks -- 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