Interesting discussion indeed. I'm just thinking that there might be
no fundamental difference to other thermostats. There's nothing in the
way that causes the friction, but then again, there's no physical
particle that causes the stochastic term in v-rescale, and the
Nosé-Hover particle is not
On Sat, 2012-05-05 at 13:19 +0200, Patrick Fuchs wrote:
Interesting discussion indeed. I'm just thinking that there might be
no fundamental difference to other thermostats. There's nothing in the
way that causes the friction, but then again, there's no physical
particle that causes the
On Sat, 5 May 2012, Dommert Florian wrote:
On Sat, 2012-05-05 at 13:19 +0200, Patrick Fuchs wrote:
Interesting discussion indeed. I'm just thinking that there might be
no fundamental difference to other thermostats. There's nothing in the
way that causes the friction, but then again, there's
On Thu, 2012-05-03 at 18:43 +0200, Patrick Fuchs wrote:
Hi Florian,
I remark that Langevin method is used also for explicit water system!
But there a big question arises to me. The thermostatting by Langevin is
achieved due to random kicks. If I simulate all atoms explicitly, there
4 maj 2012 kl. 10.45 skrev Dommert Florian:
On Thu, 2012-05-03 at 18:43 +0200, Patrick Fuchs wrote:
Hi Florian,
I remark that Langevin method is used also for explicit water system!
But there a big question arises to me. The thermostatting by Langevin is
achieved due to random kicks.
On Fri, 2012-05-04 at 11:07 +0200, Erik Marklund wrote:
4 maj 2012 kl. 10.45 skrev Dommert Florian:
On Thu, 2012-05-03 at 18:43 +0200, Patrick Fuchs wrote:
Hi Florian,
I remark that Langevin method is used also for explicit water
system!
But there a big question
On Thu, 2012-05-03 at 07:32 +0200, Albert wrote:
hello:
I wondering are the three thermostat methods: Langevin, Berendsen
and Nose-Hoover chain are all compatible with semi-isotropy coupling
style? If I would like to use semi-isotropy coupling method, which one
would be better?
thank
Hello Flo:
thank you so much for your kind comments.
Yes, I would like to couple the pressure, it really helps a lot.
best
Albert
On 05/03/2012 10:40 AM, Dommert Florian wrote:
On Thu, 2012-05-03 at 07:32 +0200, Albert wrote:
hello:
I wondering are the three thermostat methods:
Hello,
2012/5/3 Dommert Florian domm...@icp.uni-stuttgart.de
On Thu, 2012-05-03 at 07:32 +0200, Albert wrote:
hello:
I wondering are the three thermostat methods: Langevin, Berendsen
and Nose-Hoover chain are all compatible with semi-isotropy coupling
style? If I would like to use
On Thu, 2012-05-03 at 10:45 +0200, Albert wrote:
Hello Flo:
thank you so much for your kind comments.
Yes, I would like to couple the pressure, it really helps a lot.
best
Albert
You're welcome. There is just one little typo
On 05/03/2012 10:40 AM, Dommert Florian wrote:
On
On Thu, 2012-05-03 at 10:48 +0200, francesco oteri wrote:
Hello,
2012/5/3 Dommert Florian domm...@icp.uni-stuttgart.de
On Thu, 2012-05-03 at 07:32 +0200, Albert wrote:
hello:
I wondering are the three thermostat methods: Langevin,
Berendsen
2012/5/3 Dommert Florian domm...@icp.uni-stuttgart.de
On Thu, 2012-05-03 at 10:48 +0200, francesco oteri wrote:
Hello,
2012/5/3 Dommert Florian domm...@icp.uni-stuttgart.de
On Thu, 2012-05-03 at 07:32 +0200, Albert wrote:
hello:
I wondering are
On Thu, 2012-05-03 at 11:31 +0200, francesco oteri wrote:
2012/5/3 Dommert Florian domm...@icp.uni-stuttgart.de
On Thu, 2012-05-03 at 10:48 +0200, francesco oteri wrote:
Hello,
2012/5/3 Dommert Florian domm...@icp.uni-stuttgart.de
On
Hi Florian,
I remark that Langevin method is used also for explicit water system!
But there a big question arises to me. The thermostatting by Langevin is
achieved due to random kicks. If I simulate all atoms explicitly, there
is only vacuum between the atoms. Where do the random kicks come
hello:
I wondering are the three thermostat methods: Langevin, Berendsen and
Nose-Hoover chain are all compatible with semi-isotropy coupling style?
If I would like to use semi-isotropy coupling method, which one would be
better?
thank you very much
best
Albert
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