VMD-L Mailing List

From: Jonathan Booth (cmjjb_at_leeds.ac.uk)
Date: Tue Feb 03 2015 - 10:46:38 CST

I have a trajectory (.dcd) and I want to do the following:

find the average structure
find the trajectory frame with the closest structure to the average
print this structure out to a .pdb file

How do I do this?

Thanks in advance

Jonathan