# Cut-off scheme in hybrid simulation

**URL:** <https://gromacs.bioexcel.eu/t/cut-off-scheme-in-hybrid-simulation/1168>\
**Category:** User discussions\
**Created:** [November 30, 2020, 9:51am UTC](https://gromacs.bioexcel.eu/t/cut-off-scheme-in-hybrid-simulation/1168 "2020-11-30T09:51:30Z")\
**Posts on this page:** 3\
**Page:** 1

<div class="post-metadata">

**Author:** ![yasser.almeida](https://avatars.discourse-cdn.com/v4/letter/y/76d3ee/32.png) [@yasser.almeida](https://gromacs.bioexcel.eu/u/yasser.almeida)\
**Post date:** [November 30, 2020, 9:51am UTC](https://gromacs.bioexcel.eu/t/cut-off-scheme-in-hybrid-simulation/1168/1 "2020-11-30T09:51:30Z")

</div>

GROMACS version: 2020.1  
GROMACS modification:  
Hi all,

I am setting a hybrid simulation with using atomistic and coarse-grained solvents, with virtual sites, following the tutorial in the MARTINI website ([http://www.cgmartini.nl/index.php/tutorials-general-introduction-gmx5/tutorial-hybrid-model-using-virtual-sites-gmx5](http://www.cgmartini.nl/index.php/tutorials-general-introduction-gmx5/tutorial-hybrid-model-using-virtual-sites-gmx5)). For this, I use tabulated potentials, so I have `coulombtype = user` and `vdwtype = user` in my `minimization.mdp` file.  
This also uses `cutoff-scheme = Group`, but when I run `grompp` I get:

```
Fatal error:
The group cutoff scheme has been removed since GROMACS 2020. Please use the
Verlet cutoff scheme.

```

Now, when I change to `cutoff-scheme = Verlet`, I get:

```
ERROR 1 [file hybrid_minimization.mdp]:
  With Verlet lists only cut-off and PME LJ interactions are supported

ERROR 2 [file hybrid_minimization.mdp]:
  With Verlet lists only cut-off, reaction-field, PME and Ewald
  electrostatics are supported

ERROR 3 [file hybrid_minimization.mdp]:
  Coulomb type User is not supported with the verlet scheme

```

Any thoughts?

Thanks in advance,  
-Yasser

---

<div class="post-metadata">

**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:** [November 30, 2020, 10:09am UTC](https://gromacs.bioexcel.eu/t/cut-off-scheme-in-hybrid-simulation/1168/2 "2020-11-30T10:09:42Z")

</div>

Hi,  
The reason of the message is that tabulated potentials are not supported in 2020, in alternative you can use 2019. The feature is planned to come back in the new release.  
Best regards  
Alessandra

---

<div class="post-metadata">

**Author:** ![yasser.almeida](https://avatars.discourse-cdn.com/v4/letter/y/76d3ee/32.png) [@yasser.almeida](https://gromacs.bioexcel.eu/u/yasser.almeida)\
**Post date:** [November 30, 2020, 10:20am UTC](https://gromacs.bioexcel.eu/t/cut-off-scheme-in-hybrid-simulation/1168/3 "2020-11-30T10:20:31Z")

</div>

Thank you very much.

Best,  
-Yasser