-
tutorial_dcTMD Public
Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
-
2Dmodel_path_analysis Public
Jupyter notebook with 2D test potential energy landscape for performing model biased simulations combined with pathway analysis.
-
Langevin_T_boost Public
Forked from benlickert/Langevin_T_boostIncludes C++ code to run Markovian Langevin equations in units compatible with the dcTMD correction scripts available at www.moldyn.uni-freiburg.de/software/software.html. In addition, a jupyter no…
-
dcTMD_scripts_v1.0 Public
Python scripts for the application of dissipation-corrected targeted molecular dynamics analysis.
{{ message }}