[gmx-users] Langevin temperature coupling in Gromacs

[Mark Abraham]

Hi,

Probably you can, but there is no escaping reading both sets of
documentation and following the strategy you learned while doing that.

Mark
On 19/03/2015 1:32 pm, "Kevin C Chan" <cchan2242-c at my.cityu.edu.hk> wrote:

> 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
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