Force Field ports

• DES-Amber_gromacs_2025.ff

  Gromacs porting of DES-Amber force field developed by Shaw and co-workers:

  Tucker, M. R., Piana, S., Tan, D., LeVine, M. V., & Shaw, D. E. (2022). Development of force field parameters for the simulation of single-and double-stranded DNA molecules and DNA–protein complexes. The Journal of Physical Chemistry B, 126(24), 4442-4457.

  Piana, S., Robustelli, P., Tan, D., Chen, S., & Shaw, D. E. (2020). Development of a force field for the simulation of single-chain proteins and protein–protein complexes. Journal of chemical theory and computation, 16(4), 2494-2507.

USE AT YOUR OWN RISK!!