# Error in NVT on water molecule settlement **URL:** \ **Category:** User discussions\ **Created:** [February 23, 2021, 6:47am UTC](https://gromacs.bioexcel.eu/t/error-in-nvt-on-water-molecule-settlement/1631 "2021-02-23T06:47:48Z")\ **Posts on this page:** 3\ **Page:** 1
**Author:** ![Sara](https://avatars.discourse-cdn.com/v4/letter/s/a5b964/32.png) [@Sara](https://gromacs.bioexcel.eu/u/Sara)\ **Post date:** [February 23, 2021, 6:47am UTC](https://gromacs.bioexcel.eu/t/error-in-nvt-on-water-molecule-settlement/1631/1 "2021-02-23T06:47:48Z")
Hello again! I have encountered this error while trying to run NVT step. the system includes an heme-enzyme and a ligand. ![image](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/1X/062a5c91f9a8af06215a53c3757a278f71a7a6eb.jpeg) here is my NVT file ![image](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/1X/7d10c6a2e52b0b67caac5de409a3bac22b309434.png) I am seeking your kind assistance. -Sara ---
**Author:** ![pjohansson](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pjohansson/32/316_2.png) [@pjohansson](https://gromacs.bioexcel.eu/u/pjohansson)\ **Post date:** [February 23, 2021, 9:52am UTC](https://gromacs.bioexcel.eu/t/error-in-nvt-on-water-molecule-settlement/1631/2 "2021-02-23T09:52:17Z")
Hello, this error typically means that your system has molecules which are unphysically close to each other. The water molecule atoms move too far from each other at the first step. To fix it you need to fix your starting structure. Doing an energy minimization might help, [or it might not](https://gromacs.bioexcel.eu/t/error-during-em/1198), but the problem is likely the same. Kind regards, Petter ---
**Author:** ![Sara](https://avatars.discourse-cdn.com/v4/letter/s/a5b964/32.png) [@Sara](https://gromacs.bioexcel.eu/u/Sara)\ **Post date:** [May 10, 2021, 7:11pm UTC](https://gromacs.bioexcel.eu/t/error-in-nvt-on-water-molecule-settlement/1631/3 "2021-05-10T19:11:41Z")
Thank you all for your contribution