SimTK: OpenMM: Features

Share
Follow	Project Follow publicly Follow privately Unfollow See followers (63) List Map More info

Trackers

Displaying results 26‒44 out of 44 total. Displaying results.Submit new issue

Advanced queries
Simple Filtering and Sorting

Build Query

Id	Summary	Open Date	Assigned to	Submitted by
1750	Add Force Group Support to StateReporter	* 2012-10-25 03:34	Nobody	Kyle Beauchamp
1763	modeller.py does not handle missing heavy atoms in known residues (manifest when adding hydrogens)	* 2012-11-16 15:53	Nobody	Mark Williamson
1789	Add provenance tags to XML forcefield/parameter files	* 2013-01-23 22:35	Peter Eastman	John Chodera
1793	RPMD limits the number of copies to the workgroup size	* 2013-01-29 18:37	Nobody	Peter Eastman
1835	Update installation instructions in manual to contain CUDA $PATH variable	* 2013-03-27 10:18	Nobody	Carl Benzer
1855	System->addConstraint() should (at least) raise an exception for a duplicate constraint.	* 2013-04-17 18:40	Nobody	Mark Williamson
1878	system.updateParametersInContext() method.	* 2013-06-13 17:36	Nobody	Lee-Ping Wang
1965	Add support for changing the current integrator associated with an OpenMM Context object	* 2014-01-15 03:43	Nobody	John Chodera
1973	Fixed number of water molecules in addSolvent	* 2014-02-01 00:26	Nobody	Carlos Hernandez
1979	Allow barostat temperature to be set via Context parameter, like pressure is	* 2014-02-09 02:16	Peter Eastman	John Chodera
1987	Faster minimizer	* 2014-02-15 01:24	Nobody	John Chodera
1990	Add System::getNumDegreesOfFreedom() and System::getNumVsites()	* 2014-03-04 18:18	Nobody	John Chodera
1992	Suppress OpenCL callback warnings if Context is created with suppress=True flag	* 2014-03-07 04:04	Nobody	John Chodera
1996	Update virtual site parameters in context.	* 2014-03-24 19:37	Nobody	Lee-Ping Wang
2023	state of force groups in fortran	* 2014-07-08 20:17	Nobody	Josh Buckner
2037	Add a variableBrownian integrator	* 2014-09-18 22:30	Nobody	Anton Goloborodko
2055	Add support for constraints in the RPDM integrator	* 2014-11-28 14:29	Nobody	Kevin Bishop
2063	We should report PME grid dimensions for AmoebaMultipoleForce	* 2015-01-06 13:13	Nobody	Lee-Ping Wang
2672	MonteCarloBarostat periodic box vector change reflected in simulation.topology	* 2018-07-12 14:56	Nobody	Nobody

← previous 1 2

* Denotes requests > 45 Days Old

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.

Version 4.2.2. Website design by Viewfarm. Icons created by SimTK team using art by GraphBerry from www.flaticon.com under a CC BY 3.0 license. Forked from FusionForge 6.0.5.