-
Hi,
just a quick question I've failed to figure out. I want to know the cmd density transfer function T at z=1000. I define T as follows:
(delta rho/rho)_{z=1000} = T (delta rho/rho)_0
The output …
-
This is a minor style comment, but a lot of our functions look like this:
```
[...]
return returns
```
Where returns is a list whose length various depending on a bunch of optional arguments to the…
-
It might be nice to reduce the number of methods available for computing the ACM.
My thinking is that everything needs to refer to a citation or have some more complete documentation.
-
We've been working on an updated version of our comparison of a battery of test systems across OpenMM platforms to ensure that potential energies and forces agree.
We recently updated our test for Sr…
-
I’d like to start fixing up the GlobalStateMover and related classes. I picture something that (based on our current naming, which I consider open to changes) looks like this:
- `PathMover` : generate…
-
I think I've spotted an error in the examples section of the MBAR.computePMF funcion. But it could also be me geting confused with the indices
``` python
>>> from pymbar import oldtestsystems
>>> [x_…