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It did not seem like `mbar-block` was correctly analyzing fractions of the data. Revisit on simple system.
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The abbreviation for millibar should be mbar
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**Is your feature request related to a problem? Please describe.**
HomeAssistant is showing in the log a few errors about deprecated UoMs:
TEMP_CELSIUS
PRESSURE_PA
PRESSURE_MBAR
**Describe the …
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Hi All,
I have compiled alchemical_analysis/pymbar with python_2.7.9 and I could not export the overlap matrix within MBAR procedure, though MBAR free energy estimation worked well.
I got this …
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We should add functionality to perses to estimate the overlap matrix between the states. Perhaps a plot + data serialized to text would be the best?
https://pymbar.readthedocs.io/en/master/mbar.htm…
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### Hyprland Version
System/Version info
```sh
Hyprland, built from branch at commit 1b48642fd15c433c53876f1b933dcd46265caf8f dirty ().
Tag: v0.30.0
flags: (if any)
```
### Bug or Reg…
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### Description
Reading existing fits files with units of milli-bar fails now with astropy 5.x (not sure exactly when this happened):
```
In [5]: u.Unit("mbar", format="fits")
--…
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imagine we have a Java class:
```
public class Foo {
int mBar;
}
```
and we have another class inherited from Foo:
```
public class SubFoo extends Foo {
int mBar;
}
```
Java comp…
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Hello,
I tried to run the ligand transformation in water using pmemd.cuda in the tutorial: http://ambermd.org/tutorials/advanced/tutorial9/
In the tutorial, there are three steps of transformatio…
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I ran the following direct simulations and I used the first as a reference simulation to predict the Z and U^res using MBAR (**N=500**) at the parameter set of the second and compare to the second dir…