MD simulation in the solvent other than water

User discussions
1

GROMACS version: 2019

Dear gromacs users,

Is it possible to simulate a protein in a solvent other than water with Gromacs? If so, what are the solvents and how to use them?

Best,

2

I found this link in gmx website:

http://www.gromacs.org/Documentation_of_outdated_versions/How-tos/Non-Water_Solvation

This page refers to the following link: http://virtualchemistry.org

But I did not find the equilibrated box of non-water solvents and suitable parameters.

Best,

3

There is no repository of non-water solvent coordinates or topologies. You have to build these yourself.