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Update mbar code to work with pymbar 4.0

Status: Open.

#151 In shirtsgroup/cg_openmm;

· cwalker7 opened on Aug 18, 2022

Mie potentials with binary interaction parameter mixing rules

Status: Open.

#150 In shirtsgroup/cg_openmm;

· cwalker7 opened on Jun 3, 2022

Fix configurational state heat capacities for low population fractions

Status: Open.

#147 In shirtsgroup/cg_openmm;

· cwalker7 opened on Apr 13, 2022

Make the native contact symmetry checks more general

enhancementNew feature or requestNew feature or request

Status: Open.

#143 In shirtsgroup/cg_openmm;

· cwalker7 opened on Dec 20, 2021

Add example of heat capacity decomposition

knots paper

Status: Open.

#142 In shirtsgroup/cg_openmm;

· cwalker7 opened on Dec 20, 2021

Add uncertainties in partial heat capacity function

knots paper

Status: Open.

#141 In shirtsgroup/cg_openmm;

· cwalker7 opened on Dec 20, 2021

Make heat capacity code more modular

enhancementNew feature or requestNew feature or request

Status: Open.

#140 In shirtsgroup/cg_openmm;

· cwalker7 opened on Dec 20, 2021

Using multiple reference simulations for reweighting

Status: Open.

#139 In shirtsgroup/cg_openmm;

· cwalker7 opened on Dec 20, 2021

Revisit optimization / reweighting framework

Status: Open.

#138 In shirtsgroup/cg_openmm;

· cwalker7 opened on Dec 20, 2021

Implement energy scan for local angle/torsion stiffness

Status: Open.

#136 In shirtsgroup/cg_openmm;

· cwalker7 opened on Oct 7, 2021

Implement more general angle and torsion types for heteropolymers

enhancementNew feature or requestNew feature or request

Status: Open.

#134 In shirtsgroup/cg_openmm;

· cwalker7 opened on Sep 14, 2021

Allow multiple angle styles in one system

enhancementNew feature or requestNew feature or request

Status: Open.

#131 In shirtsgroup/cg_openmm;

· cwalker7 opened on Aug 23, 2021