[gmx-users] Hamiltonian REMD

Michael Shirts mrshirts at gmail.com
Wed Nov 25 15:45:40 CET 2015


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
<sanja.zivanovic at irbbarcelona.org> wrote:
> Could you please tell me how I can perform Hamiltonian replica exchange
> simulations in Gromacs version 5.0.4 without using PLUMED?
>
> Thanks
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