On 11/4/20 5:38 AM, Altair Hernández wrote: > I am trying to use multiple PDB files using the PMI multiscale modelling > protocol. I'm doing it by creating different PMI.states within the main > system. Is this the IMP.pmi way to do it?
What are you trying to achieve here? Multistate modeling is used when you have multiple conformations and/or compositions present in your sample, such that your experimental data can only be satisfied by multiple models (e.g. closed/open form, see https://salilab.org/phoq for an example).
You can, of course, use multiple PDB files as input for regular single-state modeling (a typical application would use a separate PDB file for each subunit in a complex). Just list them all in your topology file or Python script.
Ben