SimTK: OpenMM: Features

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Id	Summary	Open Date	Assigned to	Submitted by
808	OpenMM cutoffs should support charge groups	* 2009-06-02 18:42	Nobody	Michael Sherman
820	SA component of GBSAOBCForce should be split out into a separate Force	* 2009-06-16 04:05	Nobody	John Chodera
824	Surface area parameters for ACE nonpolar solvation model should be user-specifiable	* 2009-06-16 04:24	Nobody	John Chodera
825	Implement SASA force term	* 2009-06-16 04:30	Nobody	John Chodera
828	Calling reinitialize() in OpenMMContext object also resets random number sequences	* 2009-06-16 08:01	Nobody	John Chodera
841	Implement a velocity Verlet integrator	* 2009-06-24 17:57	Nobody	John Chodera
848	Detailed documentation about parallelization algorithm	* 2009-06-26 16:40	Nobody	Siddharth Srinivasan
886	Multiple Thermostat Groups	* 2009-08-01 00:01	Nobody	Kyle Beauchamp
889	Provide a special data type for configurations of systems?	* 2009-08-02 07:10	Nobody	John Chodera
890	Allow metadata to be associated with atoms in a System?	* 2009-08-02 07:24	Nobody	John Chodera
926	OBC Parameters Are Not Accessible	* 2009-08-27 17:52	Nobody	Kyle Beauchamp
953	Free energy calculation	* 2009-10-22 01:19	Nobody	Xiaohui Qu
1062	Add text version of equation describing parameters to OpenMM doxygen headers	* 2010-03-01 23:15	Nobody	John Chodera
1222	Environment variable to select CudaDevice for OpenMM tests	* 2010-06-21 17:44	Nobody	John Chodera
1223	Time dependent external force....	* 2010-06-21 21:36	Nobody	Kasra Momeni
1344	Allow user to specify velocity randomization groups for AndersenThermostat	* 2010-08-30 19:21	Nobody	John Chodera
1401	Force as a function of simulation time...	* 2011-01-02 20:50	Nobody	Kasra Momeni
1450	option to fix the coordinates of the atoms	* 2011-04-18 16:50	Nobody	David Zsolt Manrique
1582	implement addFunction() into more Custom Force classes	* 2011-12-05 23:31	Nobody	Scott Carmichael
1588	removeForce() method for System objects?	* 2011-12-27 02:44	Peter Eastman	John Chodera
1618	Add CustomIntegrator::getGlobalVariableByName() function?	* 2012-02-17 19:50	Peter Eastman	John Chodera
1628	Constant pH simulations	* 2012-03-13 21:50	Nobody	Markus Dahlgren
1630	Add set/getHalgrenConstants() function to AmoebaVdwForce to allow Halgren gamma and delta to be manipulated	* 2012-03-14 02:35	Peter Eastman	John Chodera
1655	Allow CustomIntegrator to manipulate box vectors	* 2012-04-07 03:12	Peter Eastman	John Chodera
1688	Allow PDBReporter to exclude solvent (or write only specified atoms/residues)	* 2012-06-21 04:39	Peter Eastman	John Chodera

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SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

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