Martini straight

Boost your performance using straight cutoffs and GPUs!

D.H. de Jong, S. Baoukina, H.I. Ingólfsson, S.J. Marrink. Martini straight: boosting performance using a shorter cutoff and GPUs. Comp. Phys. Comm., 2015, in press. doi:10.1016/j.cpc.2015.09.014

See the paper for details. Here you can find the required input parameter files to benefit from the increased speed options.

Charmm-GUI Martini Maker

insane TOC

Graphical user interface to build Martini membranes

Wonpil Im and coworkers developed a GUI for Martini as part of CHARMM-GUI. You can build complex bilayers, micelles, vesicles, and more, with proteins embedded. Try it out here!

The paper describing Martini Maker is now online:
Y. Qi, H.I. Ingólfsson, X. Cheng, J. Lee, S.J. Marrink, W. Im. CHARMM-GUI Martini Maker for coarse-grained simulations with the Martini force field. JCTC, 2015. abstract

Martini DNA released

Martini DNA parameters are now available at toc-v4the website: 

Martini DNA

For the publication, see:
J.J. Uusitalo, H.I. Ingólfsson, P. Akhshi, D.P. Tieleman, S.J. Marrink
Martini coarse-grained force field: extension to DNA, JCTC
(doi: 10.1021/acs.jctc.5b00286)

New lipid topology website

We just opened a new Martini lipid webpage, with even more lipids and supporting files. See for yourself here.

It's insane!

The Insane Paper is out. Read about the background, the philosophy and features.

insane TOC

T.A. Wassenaar, H.I. Ingólfsson, R.A. Böckmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile tool for generating custom membranes for molecular simulations. JCTC, 11:2144–2155, 2015. doi: 10.1021/acs.jctc.5b00209 abstract

The DAFT approach to membrane protein assembly

Setting up and running many association simulation is now easier than ever. Check out the new tool here and find the paper here.


T.A. Wassenaar, K. Pluhackova, A. Moussatova, D. Sengupta, S.J. Marrink, D.P. Tieleman, R.A. Böckmann. High-throughput simulations of dimer and trimer assembly of membrane proteins. The DAFT approach. JCTC, 11:2278–2291, 2015. DOI: 10.1021/ct5010092 abstract