Hi all,
I was curious if there's a way to only run analysis on a specific subset of
frames instead of the whole trajectory? Ie, we can trajout only certain
frame numbers, or in ranges. I have a number of frames that I want to
cluster independently of one another, and while I'd use multiple trajin
statements, I have multiple trajectories instead of one large one that the
frame numbers are based off of.
The best way I've been able to think of is to have a for loop generate
multiple trajout statements to extract the frames I'd be interested in, but
it seemed like a fairly brute force method since I'd have to load every
trajectory onto cpptraj anyway.
Best,
Kenneth
--
Ask yourselves, all of you, what power would hell have if those imprisoned
here could not dream of heaven?
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Received on Tue Mar 21 2017 - 13:30:02 PDT
