Still about the question of temperature coupling with method of the
periodic perturbation I have the following question: Only the y and z
components are rescaled in the temperature coupling?
Original Post:
"
I am trying to calculate the viscosity of water (spc model) by
periodic perturbation meth
by the viscous friction is removed by coupling to a heat
bath". The above sentences were transcribed exactly as they are in the
manual and the Hess article.
On Sat, Feb 22, 2014 at 9:46 PM, Marcelo Vanean wrote:
> Vitaly V. Chaban, this is the question. How to remove the heat
> generated b
Vitaly V. Chaban, this is the question. How to remove the heat
generated by viscous friction by heat bath without coupling the
velocity profile to heat bath? Also, why to remove the velocity
profile of the kinetic energy?
On Sat, Feb 22, 2014 at 9:08 PM, Marcelo Vanean wrote:
> Michael Shi
Michael Shirts, in this article is not discussed about the periodic
perturbation method to calculate viscosity. Anyway, thank you.
On Sat, Feb 22, 2014 at 7:16 PM, Marcelo Vanean wrote:
> Dr. Vitaly Chaban, I know that g_energy is doing all the work for me.
> However I want to understa
Dr. Vitaly Chaban, I know that g_energy is doing all the work for me.
However I want to understand the concepts.
On Fri, Feb 21, 2014 at 6:38 PM, Marcelo Vanean wrote:
> I am trying to calculate the viscosity of water (spc model) by periodic
> perturbation method. The manual says (
I am trying to calculate the viscosity of water (spc model) by periodic
perturbation method. The manual says (manual 4.6.5, pages 169 - 170): "To
obtain the correct value for the viscosity the generated velocity profile
should not be coupled to the heat bath, also the velocity profile should be
exc
