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

Ali Sinan Saglam asinansaglam at gmail.com
Thu Aug 29 21:15:08 CEST 2013


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

Ali Sinan Saglam

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