cleaned up a bunch op mess in do_md_openmm
treebc652e3d49182c0dc6962bd5722875323793034d
-rw-r--r-- 194 .gitignore
-rw-r--r-- 203 AUTHORS
-rw-r--r-- 18101 CMakeLists.txt
-rw-r--r-- 18104 COPYING
-rw-r--r-- 63695 Doxyfile.in
-rw-r--r-- 13405 INSTALL
-rw-r--r-- 3271 Makefile.am
-rw-r--r-- 3813 README
-rw-r--r-- 275349 acinclude.m4
drwxr-xr-x - admin
-rwxr-xr-x 1045 bootstrap
drwxr-xr-x - cmake
drwxr-xr-x - config
-rw-r--r-- 42314 configure.ac
drwxr-xr-x - include
drwxr-xr-x - man
drwxr-xr-x - scripts
drwxr-xr-x - share
drwxr-xr-x - src