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Displaying results 1‒25 out of 43 total. Displaying results.

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Id Summary Open Date Assigned to Submitted by
2063We should report PME grid dimensions for AmoebaMultipoleForce* 2015-01-06 13:13NobodyLee-Ping Wang
2055Add support for constraints in the RPDM integrator* 2014-11-28 14:29NobodyKevin Bishop
2037Add a variableBrownian integrator* 2014-09-18 22:30NobodyAnton Goloborodko
2023state of force groups in fortran* 2014-07-08 20:17NobodyJosh Buckner
1996Update virtual site parameters in context.* 2014-03-24 19:37NobodyLee-Ping Wang
1992Suppress OpenCL callback warnings if Context is created with suppress=True flag* 2014-03-07 04:04NobodyJohn Chodera
1990Add System::getNumDegreesOfFreedom() and System::getNumVsites()* 2014-03-04 18:18NobodyJohn Chodera
1987Faster minimizer* 2014-02-15 01:24NobodyJohn Chodera
1979Allow barostat temperature to be set via Context parameter, like pressure is* 2014-02-09 02:16Peter EastmanJohn Chodera
1973Fixed number of water molecules in addSolvent* 2014-02-01 00:26NobodyCarlos Hernandez
1965Add support for changing the current integrator associated with an OpenMM Context object* 2014-01-15 03:43NobodyJohn Chodera
1878system.updateParametersInContext() method.* 2013-06-13 17:36NobodyLee-Ping Wang
1855System->addConstraint() should (at least) raise an exception for a duplicate constraint.* 2013-04-17 18:40NobodyMark Williamson
1835Update installation instructions in manual to contain CUDA $PATH variable * 2013-03-27 10:18NobodyCarl Benzer
1793RPMD limits the number of copies to the workgroup size* 2013-01-29 18:37NobodyPeter Eastman
1789Add provenance tags to XML forcefield/parameter files* 2013-01-23 22:35Peter EastmanJohn Chodera
1763modeller.py does not handle missing heavy atoms in known residues (manifest when adding hydrogens)* 2012-11-16 15:53NobodyMark Williamson
1750Add Force Group Support to StateReporter* 2012-10-25 03:34NobodyKyle Beauchamp
1688Allow PDBReporter to exclude solvent (or write only specified atoms/residues)* 2012-06-21 04:39Peter EastmanJohn Chodera
1655Allow CustomIntegrator to manipulate box vectors* 2012-04-07 03:12Peter EastmanJohn Chodera
1630Add set/getHalgrenConstants() function to AmoebaVdwForce to allow Halgren gamma and delta to be manipulated* 2012-03-14 02:35Peter EastmanJohn Chodera
1628Constant pH simulations* 2012-03-13 21:50NobodyMarkus Dahlgren
1618Add CustomIntegrator::getGlobalVariableByName() function?* 2012-02-17 19:50Peter EastmanJohn Chodera
1588removeForce() method for System objects?* 2011-12-27 02:44Peter EastmanJohn Chodera
1582implement addFunction() into more Custom Force classes* 2011-12-05 23:31NobodyScott Carmichael
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