My analysis is kinda wonky.
Tutorial figure on the left, the output from my simulations on the right. It might be that I have made a mistake somewhere...
#DNAanalysis #DNA #MDsimulation #dnaMD #Python #ICanDoScienceMe #AcademicChatter #science
My analysis is kinda wonky.
Tutorial figure on the left, the output from my simulations on the right. It might be that I have made a mistake somewhere...
#DNAanalysis #DNA #MDsimulation #dnaMD #Python #ICanDoScienceMe #AcademicChatter #science
Hi, #compchem people!
I would like to do some Markov state analysis for my MD simulations. What are the software tools people use for this these days? I used to use HTMD or PyEmma, but neither of these has been updated in years and they are a bit difficult to get going... Any ideas?
#MDsimulation #MarkovStateModels #chemistry #simulation #protein #model #science #analysis #research #AcademicChatter #AcademicFedi