Greg Landrum c22b9e9bb2 increase default multiplier for ignoring vdw interactions in UFF

2013-09-21 15:42:55 +02:00

..

MMFF

re-enable the flag to turn off MMFF testing

2013-09-21 14:14:34 +02:00

UFF

increase default multiplier for ignoring vdw interactions in UFF

2013-09-21 15:42:55 +02:00

Wrap

- I have made MMFF atom typing more robust since I realized that

2013-09-16 12:08:02 +02:00

CMakeLists.txt

- I have made MMFF atom typing more robust since I realized that

2013-09-16 12:08:02 +02:00

Contrib.h

update copyright statements

2010-09-26 17:04:37 +00:00

ForceField.cpp

another update

2012-02-25 16:27:54 +00:00

ForceField.h

update copyright statements

2010-09-26 17:04:37 +00:00