Dear Sir/Madam,
I would like to convert the trajectory final structure to PDB format. I notice that if I do the ptraj average, the structure of some of the flexible part of the structures will become strange.
I am writing to ask if there are any good display the representative structure after a MD structure.
What is the ptraj command that we should use to include only one step of the trajectory to a PDB file, e.g. the structure of the last step?
Catherine
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Received on Fri Oct 08 2010 - 08:00:04 PDT
