Displaying results 1‒25 out of 44 total.

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Id Summary Open Date Assigned to Submitted by
808OpenMM cutoffs should support charge groups* 2009-06-02 18:42NobodyMichael Sherman
820SA component of GBSAOBCForce should be split out into a separate Force* 2009-06-16 04:05NobodyJohn Chodera
824Surface area parameters for ACE nonpolar solvation model should be user-specifiable* 2009-06-16 04:24NobodyJohn Chodera
825Implement SASA force term* 2009-06-16 04:30NobodyJohn Chodera
828Calling reinitialize() in OpenMMContext object also resets random number sequences* 2009-06-16 08:01NobodyJohn Chodera
841Implement a velocity Verlet integrator* 2009-06-24 17:57NobodyJohn Chodera
848Detailed documentation about parallelization algorithm* 2009-06-26 16:40NobodySiddharth Srinivasan
886Multiple Thermostat Groups* 2009-08-01 00:01NobodyKyle Beauchamp
889Provide a special data type for configurations of systems?* 2009-08-02 07:10NobodyJohn Chodera
890Allow metadata to be associated with atoms in a System?* 2009-08-02 07:24NobodyJohn Chodera
926OBC Parameters Are Not Accessible* 2009-08-27 17:52NobodyKyle Beauchamp
953Free energy calculation* 2009-10-22 01:19NobodyXiaohui Qu
1062Add text version of equation describing parameters to OpenMM doxygen headers* 2010-03-01 23:15NobodyJohn Chodera
1222Environment variable to select CudaDevice for OpenMM tests* 2010-06-21 17:44NobodyJohn Chodera
1223Time dependent external force....* 2010-06-21 21:36NobodyKasra Momeni
1344Allow user to specify velocity randomization groups for AndersenThermostat* 2010-08-30 19:21NobodyJohn Chodera
1401Force as a function of simulation time...* 2011-01-02 20:50NobodyKasra Momeni
1450option to fix the coordinates of the atoms* 2011-04-18 16:50NobodyDavid Zsolt Manrique
1582implement addFunction() into more Custom Force classes* 2011-12-05 23:31NobodyScott Carmichael
1588removeForce() method for System objects?* 2011-12-27 02:44Peter EastmanJohn Chodera
1618Add CustomIntegrator::getGlobalVariableByName() function?* 2012-02-17 19:50Peter EastmanJohn Chodera
1628Constant pH simulations* 2012-03-13 21:50NobodyMarkus Dahlgren
1630Add set/getHalgrenConstants() function to AmoebaVdwForce to allow Halgren gamma and delta to be manipulated* 2012-03-14 02:35Peter EastmanJohn Chodera
1655Allow CustomIntegrator to manipulate box vectors* 2012-04-07 03:12Peter EastmanJohn Chodera
1688Allow PDBReporter to exclude solvent (or write only specified atoms/residues)* 2012-06-21 04:39Peter EastmanJohn Chodera
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* Denotes requests > 45 Days Old