- Posts: 2
"Parametrizing a small molecule" tutorial missing spc162.gro
- jlillard
- Topic Author
- Offline
- Fresh Boarder
Less
More
2 years 10 months ago - 2 years 10 months ago #8974
by jlillard
"Parametrizing a small molecule" tutorial missing spc162.gro was created by jlillard
I have been attempting to run the "Parametrizing a new small molecule" tutorial for Martini3. However, the file "spc216.gro" (the input file for the water molecules) is absent from the tutorial package. Where can this be found?
Last edit: 2 years 10 months ago by jlillard.
Please Log in or Create an account to join the conversation.
- riccardo
- Offline
- Platinum Boarder
2 years 10 months ago #8978
by riccardo
Replied by riccardo on topic "Parametrizing a small molecule" tutorial missing spc162.gro
That's the default solvent - water - so Gromacs provides that file. Just run the "gmx solvate" command and you will see that it works.
Please Log in or Create an account to join the conversation.
Time to create page: 0.088 seconds