# Creating a water sphere around small molecule **URL:** \ **Category:** User discussions\ **Created:** [December 7, 2020, 9:58pm UTC](https://gromacs.bioexcel.eu/t/creating-a-water-sphere-around-small-molecule/1217 "2020-12-07T21:58:43Z")\ **Posts on this page:** 2\ **Page:** 1
**Author:** ![kuj0001](https://avatars.discourse-cdn.com/v4/letter/k/8491ac/32.png) [@kuj0001](https://gromacs.bioexcel.eu/u/kuj0001)\ **Post date:** [December 7, 2020, 9:58pm UTC](https://gromacs.bioexcel.eu/t/creating-a-water-sphere-around-small-molecule/1217/1 "2020-12-07T21:58:44Z")
GROMACS version: GROMACS modification: Yes/No Hi, I am new to gromacs and I am trying to solvate small organic molecule (dimethylaniline) with water .But I am having a problem with creating a sphere in gromacs,I do have a script that I used for NAMD where I first created water box then upload the pdb file in VMD and use the script to carve it into a sphere. So, I would like to know is there any direct way in gromacs that I can create a water sphere around the molecule. So far I have minimized and equilibrated dimethylaniline molecule in very large box (999.9nm) as I want to imply no PBC (pseudo-pbc) , 1. gmx editconf -f dma\_pdb -dma.grp -box 999.9 999.9 999.9 2. gmx grompp -f min.mdp -c dma.gro -p dma.top -o dma\_em.tpr 3. gmx mdrun -v -deffnm dma\_em Any insights about this is highly appreciate Thank you ---
**Author:** ![Dr\_DBW](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/dr_dbw/32/42_2.png) [@Dr\_DBW](https://gromacs.bioexcel.eu/u/Dr_DBW)\ **Post date:** [December 8, 2020, 2:17am UTC](https://gromacs.bioexcel.eu/t/creating-a-water-sphere-around-small-molecule/1217/2 "2020-12-08T02:17:13Z")
> **[gmx solvate — GROMACS 2020.4 documentation](http://manual.gromacs.org/documentation/current/onlinehelp/gmx-solvate.html)** And use the `-shell` option is likely to do what you want. There are also scripts around that you can put molecules into particular arrangements, web search will pull them up.