On 9/12/13 6:37 PM, Dwey Kauffman wrote:
I carried out independent NPT processes with different tau_p values =
1.5,
1.0 and 0.5
## tau_p 1.5
Energy Average Err.Est. RMSD Tot-Drift
---
---
>> I carried out independent NPT processes with different tau_p values =
>
>> 1.5,
>> 1.0 and 0.5
>>
>>
>>
>> ## tau_p 1.5
>> Energy Average Err.Est. RMSD Tot-Drift
>> ---
>>
>> Pressure
Hi Dallas, Justin, e.a.,
As has been mentioned a number of times 0.9 +- 190 and 2.3 +- 190 are not
> statistically different.
>
This is not true. Whether this is statistically different depends on the
number of independent samples. For pressure, the fluctuations are wild, and
the autocorrelation
> I carried out independent NPT processes with different tau_p values =
> 1.5,
> 1.0 and 0.5
>
>
>
> ## tau_p 1.5
> Energy Average Err.Est. RMSD Tot-Drift
> ---
>
> Pressure
Justin Lemkul wrote
> On 9/11/13 12:12 AM, Dwey Kauffman wrote:
>>> True, but thermostats allow temperatures to oscillate on the order of a
>>> few
>> K,
>>> and that doesn't happen on the macroscopic level either. Hence the
>>> small
>>> disconnect between a system that has thousands of atoms and
On 9/11/13 12:12 AM, Dwey Kauffman wrote:
True, but thermostats allow temperatures to oscillate on the order of a few
K,
and that doesn't happen on the macroscopic level either. Hence the small
disconnect between a system that has thousands of atoms and one that has
millions or trillions. P
>True, but thermostats allow temperatures to oscillate on the order of a few
K,
>and that doesn't happen on the macroscopic level either. Hence the small
>disconnect between a system that has thousands of atoms and one that has
>millions or trillions. Pressure fluctuations decrease on the orde
to resemble a
nail.
> -Original Message-
> From: gmx-users-boun...@gromacs.org [mailto:gmx-users-
> boun...@gromacs.org] On Behalf Of Dwey Kauffman
> Sent: Wednesday, 11 September 2013 12:57 PM
> To: gmx-users@gromacs.org
> Subject: [gmx-users] RE: average pressure o
On 9/10/13 10:56 PM, Dwey Kauffman wrote:
Hi Dallas and Justin,
Thanks for the reply. Yes, I did plot pressure changes over time by
g_energy and I have been aware of the note at
http://www.gromacs.org/Documentation/Terminology/Pressure
I am concerned about the average pressure is because
Hi Dallas and Justin,
Thanks for the reply. Yes, I did plot pressure changes over time by
g_energy and I have been aware of the note at
http://www.gromacs.org/Documentation/Terminology/Pressure
I am concerned about the average pressure is because our experiment shows
that our target membrane
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