What if I want to use CSFF on GROMACS?

User discussions
1

GROMACS version: 2024.3
GROMACS modification: No

Hi everyone,

I want to employ the Carbohydrate Solution Force Field (CSFF) on GROMACS simulations. I know some people were able to do that (M. Kuttel et al.), but I can’t find it here: User contributions — GROMACS webpage https://www.gromacs.org documentation

I also can’t find anything related in the forum. Any help is appreciated!

2

If you know that Michelle Kuttel has used the force field in GROMACS it might be easiest to ask her for it.

Otherwise, I guess your best bet would be to try to convert it using, e.g., charmm2gmx https://pubs.acs.org/doi/10.1021/acs.jcim.3c00860.