Shane Gordon

The fan only modes are the same at every temperature.

Exposing friend suggestions from recent activity

2

Hi all. This is a general curiosity question, so apologies if it's out of scope for Issues. Does the NSO API expose friend suggestions from recent online activity on the...

Bootstrapping on Implied Timescales

1

Is there currently any inbuilt functionality within MSMB for bootstrapping to assign variance to implied timescales calculated for a particular state representation? I'd like to achieve something similar to what...

AttributeError: type object 'RMSD' has no attribute 'TheoData'

1

Using the latest Master build, attempted to cluster some trajectory data using LPRMSD with the following script: ``` alignment=lprmsd # Alignment method stride=50 # Stride cluster=hierarchical # Clustering metric align_atoms=ProteinIndices.dat...

Question: Criteria for selecting an 'appropriate' number of microstates

1

Hi all. My understanding is that when making a fine-grained MSM, the intention is make as many states as possible to gain a sufficiently detailed kinetic landscape, yet at the...

CalculateImpliedTimescales.py crashes using assignments given by AssignHierarchical.py

5

Following on from the issue I raised earlier (#295), I'm having troubles with the CalculateImpliedTimescales.py script when working with assignments generated by AssignHierarchical.py. This does not seem to occur when...