[gmx-users] A question about velocity rescaling thermostat and velocity verlet integrator

Michael Shirts mrshirts at gmail.com
Fri Aug 30 04:10:57 CEST 2013

The only integrators with stochastic force components are sd and bd.

vrescale has a small stochastic component, but that is for the target
kinetic energy, and is not a random force acting on each particle.

On Thu, Aug 29, 2013 at 3:15 PM, Ali Sinan Saglam
<asinansaglam at gmail.com> wrote:
> Hi,
> I was planning to use the velocity verlet ingetrator (md-vv) with velocity
> rescaling thermostat (tcoupl = v-rescale). I know that velocity rescaling
> thermostat is a stochastic thermostat and uses a random seed and generally
> with the stochastic thermostats one would use the sd integrator that uses
> ld-seed = -1 option for a random seed.
> I was just wondering if one uses the velocity verlet integrator with a
> stochastic thermostat does the ld-seed option work as it does with the sd
>  (or bd) integrator?  (the manual currently doesn't say anything about this
> http://manual.gromacs.org/online/mdp_opt.html#run)
> Best,
> Ali Sinan Saglam
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