# Umbrella Sampling Error in the Transformation Reaction Coordinate

**URL:** <https://gromacs.bioexcel.eu/t/umbrella-sampling-error-in-the-transformation-reaction-coordinate/4835>\
**Category:** User discussions\
**Created:** [September 22, 2022, 12:47pm UTC](https://gromacs.bioexcel.eu/t/umbrella-sampling-error-in-the-transformation-reaction-coordinate/4835 "2022-09-22T12:47:18Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![Bratin](https://avatars.discourse-cdn.com/v4/letter/b/f07891/32.png) [@Bratin](https://gromacs.bioexcel.eu/u/Bratin)\
**Post date:** [September 22, 2022, 12:47pm UTC](https://gromacs.bioexcel.eu/t/umbrella-sampling-error-in-the-transformation-reaction-coordinate/4835/1 "2022-09-22T12:47:18Z")

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GROMACS version: Gromacs 2022.2  
GROMACS modification: Yes/No  
Dear all,  
I am using transformation reaction co-ordinates to perform umbrella sampling of a rare event. I have used two reaction co-ordinates and transformed them using transformation utility of Gromacs. While doing ‘gmx wham’ I ended up with following error:  
Fatal error:  
Part1/umbrella17.tpr: Pull coordinate 1 has force constant of of 0.  
That doesn’t seem to be an Umbrella tpr.  
Please help to solve this problem.

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**Author:** ![hess](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/hess/32/416_2.png) [@hess](https://gromacs.bioexcel.eu/u/hess)\
**Post date:** [September 23, 2022, 10:45am UTC](https://gromacs.bioexcel.eu/t/umbrella-sampling-error-in-the-transformation-reaction-coordinate/4835/2 "2022-09-23T10:45:16Z")

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Did you supply a pull coordinate selection with -is?  
If not, I guess you need to do that.  
If you did, you probably provided a wrong selection.

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<div class="post-metadata">

**Author:** ![Bratin](https://avatars.discourse-cdn.com/v4/letter/b/f07891/32.png) [@Bratin](https://gromacs.bioexcel.eu/u/Bratin)\
**Post date:** [September 23, 2022, 4:44pm UTC](https://gromacs.bioexcel.eu/t/umbrella-sampling-error-in-the-transformation-reaction-coordinate/4835/3 "2022-09-23T16:44:40Z")

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Thanks for the help
