Post date: May 12, 2015 1:55:03 PM
The software implementation of the AGBNP3 implicit solvent model has been released on github. AGBNP3 is (mostly) an optimized version of the AGBNP2 model for many-core CPUs. See the software section for more information. The portable library comes with an API designed for integration in most molecular dynamics codes.Try it out and let us know of any problems/issues.
Development of AGBNP3 is supported by the NSF under grant ACI 1440665.
Support from the National Science Foundation is gratefully acknowledged