Hi, I wish to ask about how the ptraj/cpptraj script would look like if I were to extract each frame of a trajectory as individual .mdcrd files? I’m doing this to calculate the protein’s energy frame by frame using imin=5.
Thanks.
Regards
Yip Yew Mun
Graduate, PhD
Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
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Received on Wed Apr 30 2014 - 07:00:02 PDT
