# Double precision on gro file using editconf

**URL:** https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936
**Category:** User discussions
**Created:** [March 31, 2022, 11:36pm UTC](https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936 "2022-03-31T23:36:01Z")
**Posts on this page:** 6
**Page:** 1

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### Author: ![pinoji1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pinoji1/32/1442_2.png) [@pinoji1](https://gromacs.bioexcel.eu/u/pinoji1)
#### Post date: [March 31, 2022, 11:36pm UTC](https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936/1 "2022-03-31T23:36:01Z")

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GROMACS version:2022.1  
GROMACS modification: No  
Is there a way to keep the position coordinate in DP? The gro file seems to revert back to SP when it get converted from pdb to gro by editconf. I can rewrite them into DP but I do not know how to keep DP when the molecule is boxed in the empty cell. It also came out as SP.  
Thank you very much.

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### Author: ![pinoji1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pinoji1/32/1442_2.png) [@pinoji1](https://gromacs.bioexcel.eu/u/pinoji1)
#### Post date: [March 31, 2022, 11:47pm UTC](https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936/2 "2022-03-31T23:47:45Z")

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Oops, I got it. My guess now is the xyz coordinates are used as SP during the computation. So I do not need to worry about this issue.

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### Author: ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)
#### Post date: [April 4, 2022, 9:09am UTC](https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936/3 "2022-04-04T09:09:02Z")

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Hi,  
You can try to compile GROMACS in double precision, if you did not already did,  
Here you can find more on gromacs mixed and double precision.  
[https://manual.gromacs.org/current/reference-manual/definitions.html?highlight=double%20precision](https://manual.gromacs.org/current/reference-manual/definitions.html?highlight=double%20precision)  
\Alessandra

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### Author: ![pinoji1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pinoji1/32/1442_2.png) [@pinoji1](https://gromacs.bioexcel.eu/u/pinoji1)
#### Post date: [April 5, 2022, 4:41pm UTC](https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936/4 "2022-04-05T16:41:06Z")

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Thank you very much. I will try to do this over this weekend.

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### Author: ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)
#### Post date: [April 8, 2022, 12:09pm UTC](https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936/5 "2022-04-08T12:09:52Z")

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HI,  
Note to have the coordinate in double precision you have to get them from the trr file. (see also

> [@How to obtain the double precision coordinate file as input for the normal mode analysis](https://gromacs.bioexcel.eu/t/how-to-obtain-the-double-precision-coordinate-file-as-input-for-the-normal-mode-analysis/3951):
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> I’m interested in using generating energy minimised coordinate file as input for the normal mode analysis. However, it seems that I cannot get a gro file in the double precision format. I wonder if I can have some help, please? Thank you. So I generate the em tpr file with gmx\_d grompp -f minim.mdp -c lig.gro -p gas.top -maxwarn 1 -o em.tpr Then run the em. gmx\_d mdrun -o em.trr -s em.tpr Then I tried to extract the double precision energy minimised coordinate from trr file to feed it as i…

\Alessandra

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### Author: ![pinoji1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pinoji1/32/1442_2.png) [@pinoji1](https://gromacs.bioexcel.eu/u/pinoji1)
#### Post date: [April 8, 2022, 6:42pm UTC](https://gromacs.bioexcel.eu/t/double-precision-on-gro-file-using-editconf/3936/6 "2022-04-08T18:42:16Z")

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Thank you very much.
