Martini in OpenMM
- Last Updated: Thursday, 13 April 2023 10:59
The group of Tieleman has completed an implementation of Martini 2 and Martini 3 in the OpenMM molecular dynamics software package. OpenMM is a flexible molecular dynamics package widely used for methods development and is competitive in speed on GPUs with other commonly used packages. OpenMM has facilities to easily implement new force field terms, external forces and fields, and other non-standard features, which were used to implement all force field terms of Martini 2 and Martini 3. This allows OpenMM simulations, starting with GROMACS topology files that are processed by custom scripts, with all the added flexibility of OpenMM. For details, see the paper of MacCallum et al., Biophys J., 2023.
- Last Updated: Wednesday, 24 May 2023 06:03
Martini keeps expanding its application horizon - see the birth of Martini models for a zeolite MOF: https://doi.org/10.1063/5.0145924
- Last Updated: Friday, 07 April 2023 06:13
Finally our integrative model of SARS-Cov-2 is published, representing the most realistic model of this viral envelope to date, with interesting pattern formation of the M-dimers.
For details, see Pezeshkian et al., Structure (2023).
- Last Updated: Tuesday, 14 March 2023 15:34
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- Last Updated: Thursday, 23 February 2023 14:23
Now available: optimized Martini 2 cholesterol model which remedies the artificial temperature gradients using loose LINCS settings. See https://doi.org/10.1021/acs.j