[gmx-users] Langevin temperature coupling in Gromacs

[Kevin C Chan]

Dear Users,

I am thinking whether a Langevin thermostat can be achieved by turning on
integrator=sd in Gromacs and setting bd-fric. All I want is to make an
equivalent mdp file (thermostat part) compared to an NAMD parameter in
which the Langevin thermostat is turned on and gamma equals to 5.

Thanks in advance,
Kevin