Updated: Nov 15, 2024
Latest versions
1.3.0 for SAMSON 2024 R1
This extension makes it possible to create coarse-grained models for the MARTINI force field.
The extension uses Martinize2 and Vermouth to create coarse-grained representations of systems.
[1] Peter C. Kroon, Fabian Grünewald, Jonathan Barnoud, Marco van Tilburg, Paulo C. T. Souza, Tsjerk A. Wassenaar, Siewert-Jan Marrink. Martinize2 and Vermouth: Unified Framework for Topology Generation.
[2] P.C.T. Souza, R. Alessandri, J. Barnoud, S. Thallmair, I. Faustino, F. Grünewald, et al., Martini 3: a general purpose force field for coarse-grained molecular dynamics, Nat. Methods. 18 (2021) 382–388.