# Can i drop a single frame and continue?

**URL:** <https://gromacs.bioexcel.eu/t/can-i-drop-a-single-frame-and-continue/2407>\
**Category:** User discussions\
**Tags:** mdrun\
**Created:** [June 25, 2021, 4:40am UTC](https://gromacs.bioexcel.eu/t/can-i-drop-a-single-frame-and-continue/2407 "2021-06-25T04:40:39Z")\
**Posts on this page:** 4\
**Page:** 1

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**Author:** ![Max](https://avatars.discourse-cdn.com/v4/letter/m/e5b9ba/32.png) [@Max](https://gromacs.bioexcel.eu/u/Max)\
**Post date:** [June 25, 2021, 4:40am UTC](https://gromacs.bioexcel.eu/t/can-i-drop-a-single-frame-and-continue/2407/1 "2021-06-25T04:40:40Z")

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Hey Guys,

I do have a question.  
I simulated a molecules for 100ns and when I wanted to do RMSD and Gyration calculations from it, I got this error  
“Reading frame 32000 time 63926.000 Floating point exception (core dumped)”

So if I am not mistaken this frame there is corrupt and therefore leads to problems.  
Now, I am asking myself whether it is possible to just “skip” the frame somehow?

While preparing the no PBC-file i used trjcov and -dump 63926 but that obviously just removed every frame after that one :/

Is there a skip option or does anybody has an idea what I can do, besides simulating a new dataset?

Best,  
Max

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**Author:** ![orbeckst](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/orbeckst/32/32_2.png) [@orbeckst](https://gromacs.bioexcel.eu/u/orbeckst)\
**Post date:** [June 25, 2021, 5:11pm UTC](https://gromacs.bioexcel.eu/t/can-i-drop-a-single-frame-and-continue/2407/2 "2021-06-25T17:11:26Z")

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Hi Max,

In the past we used a combination of `gmx trjcat` and `gmx_rescue64` to reassemble a trajectory with bad frames excised. A long time ago one of my students wrote a simple script to semi-automate the process and put it up at [GitHub - Becksteinlab/gmx\_first\_aid: A command line utility intended to assist in recovering data from corrupted gromacs trajectories.](https://github.com/Becksteinlab/gmx_first_aid) — sorry, there’s no documentation for the first-aid.sh script beyond reading the script itself (and the script also needs to be adapted) but you might get an idea how to go about it. The source code for gmx\_rescue64 is also in this repo.

I can’t help much more than pointing you to the repo. I hope you can make it work.

Oliver

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**Author:** ![Max](https://avatars.discourse-cdn.com/v4/letter/m/e5b9ba/32.png) [@Max](https://gromacs.bioexcel.eu/u/Max)\
**Post date:** [June 25, 2021, 5:22pm UTC](https://gromacs.bioexcel.eu/t/can-i-drop-a-single-frame-and-continue/2407/3 "2021-06-25T17:22:40Z")

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Dear Oliver,

thank you very much for the suggestions!

I will check our gmx\_rescue and the repo soon!

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**Author:** ![tyol](https://avatars.discourse-cdn.com/v4/letter/t/dbc845/32.png) [@tyol](https://gromacs.bioexcel.eu/u/tyol)\
**Post date:** [December 22, 2021, 7:53pm UTC](https://gromacs.bioexcel.eu/t/can-i-drop-a-single-frame-and-continue/2407/4 "2021-12-22T19:53:41Z")

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did you solve it please ?