Hi,
Checkout the 'onlyframes' keyword for the 'trajout' command - that may
do what you want.
-Dan
On Tue, Mar 21, 2017 at 4:03 PM, Kenneth Huang
<kennethneltharion.gmail.com> wrote:
> 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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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Mar 21 2017 - 13:30:03 PDT
