How to obtain the program
Click the green arrow in the graphic below to download the program files. Click on “DETAILS” to view additional information about the program.
This package enables users to calculate noes from Amber trajectories.
|Documentation:||Documentation is included in the download.|
|Associated Publications:||Chalmers G, Glushka JN, Foley BL, Woods RJ, Prestegard JH. Direct NOE simulation from long MD trajectories Journal of Magnetic Resonance. 265: 1-9. DOI: 10.1016/j.jmr.2016.01.006|
|Date:||January 19, 2017|
The program is also available for download here:
Direct NOE Simulation from Long MD Trajectories. G. Chalmers, J.N. Glushka, B.L. Foley, R.J. Woods, J.H. Prestegard. Journal of Magnetic Resonance. 2016. http://dx.doi.org/10.1016/j.jmr.2016.01.006
Installation instructions are included in the download referenced at the top of this page.
Use instructions are included in the download referenced at the top of this page.