[gmx-users] exclude some frames from trajectory

[Justin Lemkul]

On 4/1/14, 6:17 AM, Saman Shahriyari wrote:
> dear users
> i am trying to make a .xtc file from an existing .trr and exclude some frams of .trr file. should i be using trajconv to cut the trajectory around the nonwanted frames and fuse the wanteds by trajcat? is there any other way to do it in a single command?

If you want to chop out discontinuous sections of a trajectory, you need to do 
multiple steps.  Chopping out frames will require however many calls to trjconv 
are required to pull the frames, but then a single instance of trjcat will 
stitch them all together.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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