The structure and topology files for hydroxide in CG

User discussions
1

GROMACS version: 2018.1
GROMACS modification: Yes/No
Here post your question
I need to add a few hydroxide (OH-) to my nanoparticle for which I have the structure and CG forcefield files. I think that I may be able to do this with genbox. But, how should I make the gro file for hydoxide in first place?

2

Delete one H atom from a water molecule from e.g. spc216.gro.

1 Like