Displaying results 26‒44 out of 44 total. Displaying results.

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Id Summary Open Date Assigned to Submitted by
1750Add Force Group Support to StateReporter* 2012-10-25 03:34NobodyKyle Beauchamp does not handle missing heavy atoms in known residues (manifest when adding hydrogens)* 2012-11-16 15:53NobodyMark Williamson
1789Add provenance tags to XML forcefield/parameter files* 2013-01-23 22:35Peter EastmanJohn Chodera
1793RPMD limits the number of copies to the workgroup size* 2013-01-29 18:37NobodyPeter Eastman
1835Update installation instructions in manual to contain CUDA $PATH variable * 2013-03-27 10:18NobodyCarl Benzer
1855System->addConstraint() should (at least) raise an exception for a duplicate constraint.* 2013-04-17 18:40NobodyMark Williamson
1878system.updateParametersInContext() method.* 2013-06-13 17:36NobodyLee-Ping Wang
1965Add support for changing the current integrator associated with an OpenMM Context object* 2014-01-15 03:43NobodyJohn Chodera
1973Fixed number of water molecules in addSolvent* 2014-02-01 00:26NobodyCarlos Hernandez
1979Allow barostat temperature to be set via Context parameter, like pressure is* 2014-02-09 02:16Peter EastmanJohn Chodera
1987Faster minimizer* 2014-02-15 01:24NobodyJohn Chodera
1990Add System::getNumDegreesOfFreedom() and System::getNumVsites()* 2014-03-04 18:18NobodyJohn Chodera
1992Suppress OpenCL callback warnings if Context is created with suppress=True flag* 2014-03-07 04:04NobodyJohn Chodera
1996Update virtual site parameters in context.* 2014-03-24 19:37NobodyLee-Ping Wang
2023state of force groups in fortran* 2014-07-08 20:17NobodyJosh Buckner
2037Add a variableBrownian integrator* 2014-09-18 22:30NobodyAnton Goloborodko
2055Add support for constraints in the RPDM integrator* 2014-11-28 14:29NobodyKevin Bishop
2063We should report PME grid dimensions for AmoebaMultipoleForce* 2015-01-06 13:13NobodyLee-Ping Wang
2672MonteCarloBarostat periodic box vector change reflected in simulation.topology* 2018-07-12 14:56NobodyNobody
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