Commits · 68c97c5bfcb81fcb2b39171e36396aa76a14bd35 · tsoc / openmm

09 Feb, 2021 1 commit
- Code cleanup (#3014) · 3aa4bb8c
  Peter Eastman authored Feb 08, 2021
  
  3aa4bb8c
01 Feb, 2021 1 commit

Top level Python module is now "openmm" (#3000) · e53bdc5e

Peter Eastman authored Feb 01, 2021

* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning

e53bdc5e

14 Feb, 2020 1 commit
- Renamed BAOABLangevinIntegrator to LangevinMiddleIntegrator · 65ee8fd7
  Peter Eastman authored Feb 14, 2020
  
  65ee8fd7
17 Jan, 2020 1 commit
- Updated simulation parameters in documentation and examples · ad35dab4
  peastman authored Jan 17, 2020
  
  ad35dab4
21 Oct, 2019 1 commit
- Updated documentation and examples to include BAOABLangevinIntegrator · e1aec292
  peastman authored Oct 21, 2019
  
  e1aec292
18 Apr, 2014 1 commit

Add the parameter/RTF files back for the examples. Put a note in · cc97a0ba

Jason Swails authored Apr 18, 2014

simulateCharmm.py to use the latest force fields. This is what CHARMM does for
their own tutorials, so this is fine.

cc97a0ba

17 Apr, 2014 1 commit
- Modify simulateCharmm.py to require a top and par file. Delete charmm22 files · d825e6ab
  Jason Swails authored Apr 17, 2014
```
to prevent users from actually using them.
```
  d825e6ab
15 Apr, 2014 1 commit
- Update the CHARMM example. · 17b7569a
  Jason Swails authored Apr 14, 2014
  
  17b7569a
09 Apr, 2014 1 commit
- Add some protection against an uncaught exception in the CharmmFile destructor · 20ad26b6
  Jason Swails authored Apr 09, 2014
```
Add a test case and example for running with CHARMM files.
```
  20ad26b6