Closed ghost closed 4 years ago
Hello,
I'm trying to build a Markov State Model for an RNA system and I have issues with the msm estimation and validation. When I run
tica = coor.tica(inp, lag=20, dim=30) tica_concatenated = np.concatenate(tica.get_output()) cl = coor.cluster_kmeans(tica, k=200, max_iter=100) its = msm.its(cl.dtrajs, nits=10, errors='bayes')
tica = coor.tica(inp, lag=20, dim=30)
tica_concatenated = np.concatenate(tica.get_output())
cl = coor.cluster_kmeans(tica, k=200, max_iter=100)
its = msm.its(cl.dtrajs, nits=10, errors='bayes')
I get the error:
When I plot its, this is what I see:
I don't understand where the issue is.
Your help is greatly appreciated.
Hello,
I'm trying to build a Markov State Model for an RNA system and I have issues with the msm estimation and validation. When I run
tica = coor.tica(inp, lag=20, dim=30)tica_concatenated = np.concatenate(tica.get_output())cl = coor.cluster_kmeans(tica, k=200, max_iter=100)its = msm.its(cl.dtrajs, nits=10, errors='bayes')I get the error:
When I plot its, this is what I see:
I don't understand where the issue is.
Your help is greatly appreciated.