Hi,
I have run MD simulation using AMBER, and attempted to use EMMA to construct Markov State Model. However, for the first step of clustering, I encountered some errors: "Exception in thread "main" java.lang.RuntimeException: Wrong dimension. Dimension of 0 expected, but input vectors have 1 and 1"
I could not trace where the error came from because the template input, i.e. the xtc from the GS_peptide, is binary.
Im wondering if the EMMA supports AMBER output?
Thank you. Please help.
Regards,
Chinh