DPD/tstat and Gayberne Potential

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1

Dear Lammps Users,

I would like to couple Gayberne potential with DPD/tstat as a thermostat in my system, which helps preserve the hydrodynamic behavior of the system. However, It didn’t work. According to my understanding, since the first term in DPD/tstat is from a pairwise interaction,which is only dependent on distance. This being said, if I simply use LJ potential, dpd/tstat will definitely work; while if I am using Gayberne potential, with one more dependence arising from the orientation, which causes the DPD/tstat to fail in this system.

I am wondering is there any possibility at all that if I would like to preserve hydrodynamic interaction while I can still use Gayberne Potential?

Thanks very much in advance for any thoughts and ideas!
Sincerely,
LQ

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If dpd/tstat is the only thermostat you can use, then it
would have to be modified to compute an appropriate
distance between ellipsoidal particles. If another thermostat
like langevin is suitable then it can be used with aspherical
particles and also thermostat the rotational dof.

Steve