We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent 71d5f22 commit 526db5aCopy full SHA for 526db5a
README.md
@@ -1,9 +1,16 @@
1
-About CPPTRAJ
2
-=============
+CPPTRAJ
+=======
3
4
CPPTRAJ is a program designed to load and analyze molecular dynamics
5
trajectories and relevant data sets derived from their analysis.
6
7
+*Note that the GitHub version of CPPTRAJ should be considered BETA.*
8
+The official AmberTools release version of CPPTRAJ can be found
9
+at the [Amber website](http://ambermd.org).
10
+
11
+About CPPTRAJ
12
+=============
13
14
CPPTRAJ is a rewrite of the PTRAJ trajectory analysis code in C++ that is part
15
of AmberTools. The intent is to make the code more readable, leak-free, and
16
thread-safe. The biggest functional change from PTRAJ is the ability to load and
0 commit comments