Adding force fields to the Gromacs distribution

User discussions
1

GROMACS version: Any
GROMACS modification: No
Dear All,

Recently two additional Amber force fields have become available; namely A99SB-disp (https://doi.org/10.1073/pnas.1800690115) and A99SB-ucb (https://doi.org/10.1021/ct2000183 , okay this one is not that recent) however they are not distributed with Gromacs. Within our group we have implemented Gromacs compatible files for these force fields. I would like to ask if it is possible to distribute our files as a part of the official Gromacs distribution? If not, would it be recommended to add our files to the website at https ://www.gromacs.org/Downloads/User_contributions/Force_fields ?

all the best,
batuhan

2

Hi,
Use the third party category ( Third party tools and files - GROMACS forums) of this forum to post the link to the files of the implement AMBER force field.
The third party category aims to replace the the User_contributions under gromacs webpage. Soon a new gromacs webpage will be released.
Thank you for contributing
Alessandra