- Last Updated on Monday, 19 October 2015 15:06
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
- Last Updated on Thursday, 27 August 2015 09:11
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
- Last Updated on Thursday, 27 August 2015 09:07
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
- Last Updated on Wednesday, 12 August 2015 10:04
We just opened a new Martini lipid webpage, with even more lipids and supporting files. See for yourself here.
- Last Updated on Thursday, 27 August 2015 09:06
The Insane Paper is out. Read about the background, the philosophy and features.
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