We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent cd5f3e8 commit 0ca10e5Copy full SHA for 0ca10e5
1 file changed
README.md
@@ -1,6 +1,6 @@
1
# dijkstra-water-wire
2
This is a C / C++ program for Dijkstra's single source shortest
3
-path algorithm taken from http://www.geeksforgeeks.org/printing-paths-dijkstras-shortest-path-algorithm/, Aditya Goel.
+path algorithm based off of code from http://www.geeksforgeeks.org/printing-paths-dijkstras-shortest-path-algorithm/, by Aditya Goel.
4
The code has been modified to calculate water wires connecting a donor and acceptor from an MD simulation.
5
Currently, only Amber MD has been tested and the code can use either a pdb trajectory file
6
or an Amber ASCII trajectory file (mdcrd). For a path to be accepted, waters must be within
0 commit comments